N-(furan-3-ylmethyl)propan-2-amine;N-(1H-imidazol-5-ylmethyl)propan-2-amine;N-(1H-pyrrol-2-ylmethyl)propan-2-amine;N-(1H-pyrrol-3-ylmethyl)propan-2-amine;N-(thiophen-2-ylmethyl)propan-2-amine;N-(thiophen-3-ylmethyl)propan-2-amine

C47H80N10OS2 — CID 158867981

IUPACN-(furan-3-ylmethyl)propan-2-amine;N-(1H-imidazol-5-ylmethyl)propan-2-amine;N-(1H-pyrrol-2-ylmethyl)propan-2-amine;N-(1H-pyrrol-3-ylmethyl)propan-2-amine;N-(thiophen-2-ylmethyl)propan-2-amine;N-(thiophen-3-ylmethyl)propan-2-amine
SMILESCC(C)NCc1cc[nH]c1.CC(C)NCc1ccc[nH]1.CC(C)NCc1cccs1.CC(C)NCc1ccoc1.CC(C)NCc1ccsc1.CC(C)NCc1cnc[nH]1
InChIInChI=1S/2C8H14N2.C8H13NO.2C8H13NS.C7H13N3/c1-7(2)10-6-8-3-4-9-5-8;1-7(2)10-6-8-4-3-5-9-8;2*1-7(2)9-5-8-3-4-10-6-8;1-7(2)9-6-8-4-3-5-10-8;1-6(2)9-4-7-3-8-5-10-7/h2*3-5,7,9-10H,6H2,1-2H3;2*3-4,6-7,9H,5H2,1-2H3;3-5,7,9H,6H2,1-2H3;3,5-6,9H,4H2,1-2H3,(H,8,10)
InChIKeyJBMILLANGWMEBB-UHFFFAOYSA-N
MW865.36 g/mol
LogP10.20
Rot. Bonds18

About N-(furan-3-ylmethyl)propan-2-amine;N-(1H-imidazol-5-ylmethyl)propan-2-amine;N-(1H-pyrrol-2-ylmethyl)propan-2-amine;N-(1H-pyrrol-3-ylmethyl)propan-2-amine;N-(thiophen-2-ylmethyl)propan-2-amine;N-(thiophen-3-ylmethyl)propan-2-amine

N-(furan-3-ylmethyl)propan-2-amine;N-(1H-imidazol-5-ylmethyl)propan-2-amine;N-(1H-pyrrol-2-ylmethyl)propan-2-amine;N-(1H-pyrrol-3-ylmethyl)propan-2-amine;N-(thiophen-2-ylmethyl)propan-2-amine;N-(thiophen-3-ylmethyl)propan-2-amine (PubChem CID 158867981) has the molecular formula C47H80N10OS2 and a molecular weight of 865.36 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)propan-2-amine;N-(1H-imidazol-5-ylmethyl)propan-2-amine;N-(1H-pyrrol-2-ylmethyl)propan-2-amine;N-(1H-pyrrol-3-ylmethyl)propan-2-amine;N-(thiophen-2-ylmethyl)propan-2-amine;N-(thiophen-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)propan-2-amine;N-(1H-imidazol-5-ylmethyl)propan-2-amine;N-(1H-pyrrol-2-ylmethyl)propan-2-amine;N-(1H-pyrrol-3-ylmethyl)propan-2-amine;N-(thiophen-2-ylmethyl)propan-2-amine;N-(thiophen-3-ylmethyl)propan-2-amine
PubChem CID158867981
Molecular FormulaC47H80N10OS2
Molecular Weight865.36 g/mol
Exact Mass864.60
IUPAC NameN-(furan-3-ylmethyl)propan-2-amine;N-(1H-imidazol-5-ylmethyl)propan-2-amine;N-(1H-pyrrol-2-ylmethyl)propan-2-amine;N-(1H-pyrrol-3-ylmethyl)propan-2-amine;N-(thiophen-2-ylmethyl)propan-2-amine;N-(thiophen-3-ylmethyl)propan-2-amine
SMILESCC(C)NCc1cc[nH]c1.CC(C)NCc1ccc[nH]1.CC(C)NCc1cccs1.CC(C)NCc1ccoc1.CC(C)NCc1ccsc1.CC(C)NCc1cnc[nH]1
InChIInChI=1S/2C8H14N2.C8H13NO.2C8H13NS.C7H13N3/c1-7(2)10-6-8-3-4-9-5-8;1-7(2)10-6-8-4-3-5-9-8;2*1-7(2)9-5-8-3-4-10-6-8;1-7(2)9-6-8-4-3-5-10-8;1-6(2)9-4-7-3-8-5-10-7/h2*3-5,7,9-10H,6H2,1-2H3;2*3-4,6-7,9H,5H2,1-2H3;3-5,7,9H,6H2,1-2H3;3,5-6,9H,4H2,1-2H3,(H,8,10)
InChIKeyJBMILLANGWMEBB-UHFFFAOYSA-N
XLogP10.20
TPSA145.58 Ų
H-Bond Donors9
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500865.36
LogP ≤ 510.20
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1010

Analyze N-(furan-3-ylmethyl)propan-2-amine;N-(1H-imidazol-5-ylmethyl)propan-2-amine;N-(1H-pyrrol-2-ylmethyl)propan-2-amine;N-(1H-pyrrol-3-ylmethyl)propan-2-amine;N-(thiophen-2-ylmethyl)propan-2-amine;N-(thiophen-3-ylmethyl)propan-2-amine with MolForge

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Related Compounds

5-{1-[(1-ethyl-1H-imidazol-5-yl)methyl]-2-pyrrolidinyl}-N-(3-furylmethyl)-2-thiophenecarboxamide
CID 45243481
1-(furan-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole
CID 54189058
4-(furan-3-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole
CID 86185791
1-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole
CID 140977165
1-(furan-2-yl)-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole
CID 141036720
2-[1-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole
CID 141107824
1-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole
CID 141269245
1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1,2-bis(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole
CID 141327986
1-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazole
CID 141360161
2-[3-(furan-2-yl)-1-(1H-imidazol-2-yl)-4,5-bis(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidin-4-yl]-1,3-thiazole
CID 141362679
3-[[6-(furan-2-ylmethylidene)-4-(1H-pyrrol-2-ylmethylidene)-5-(thiophen-2-ylmethylidene)-1H-pyrimidin-2-yl]methylidene]-5-(1H-imidazol-2-ylmethylidene)-6-(1H-pyrazol-3-ylmethylidene)-4-(pyridin-2-ylmethylidene)pyridazine
CID 151616737
3-methylfuran;2-methylpyrazine;bis(3-methylpyridine);2-methylpyrimidine;1-methylpyrrole;3-methyl-1H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene
CID 157330566

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)propan-2-amine;N-(1H-imidazol-5-ylmethyl)propan-2-amine;N-(1H-pyrrol-2-ylmethyl)propan-2-amine;N-(1H-pyrrol-3-ylmethyl)propan-2-amine;N-(thiophen-2-ylmethyl)propan-2-amine;N-(thiophen-3-ylmethyl)propan-2-amine?
The IUPAC name of N-(furan-3-ylmethyl)propan-2-amine;N-(1H-imidazol-5-ylmethyl)propan-2-amine;N-(1H-pyrrol-2-ylmethyl)propan-2-amine;N-(1H-pyrrol-3-ylmethyl)propan-2-amine;N-(thiophen-2-ylmethyl)propan-2-amine;N-(thiophen-3-ylmethyl)propan-2-amine (CID 158867981) is N-(furan-3-ylmethyl)propan-2-amine;N-(1H-imidazol-5-ylmethyl)propan-2-amine;N-(1H-pyrrol-2-ylmethyl)propan-2-amine;N-(1H-pyrrol-3-ylmethyl)propan-2-amine;N-(thiophen-2-ylmethyl)propan-2-amine;N-(thiophen-3-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)propan-2-amine;N-(1H-imidazol-5-ylmethyl)propan-2-amine;N-(1H-pyrrol-2-ylmethyl)propan-2-amine;N-(1H-pyrrol-3-ylmethyl)propan-2-amine;N-(thiophen-2-ylmethyl)propan-2-amine;N-(thiophen-3-ylmethyl)propan-2-amine?
The canonical SMILES for N-(furan-3-ylmethyl)propan-2-amine;N-(1H-imidazol-5-ylmethyl)propan-2-amine;N-(1H-pyrrol-2-ylmethyl)propan-2-amine;N-(1H-pyrrol-3-ylmethyl)propan-2-amine;N-(thiophen-2-ylmethyl)propan-2-amine;N-(thiophen-3-ylmethyl)propan-2-amine is CC(C)NCc1cc[nH]c1.CC(C)NCc1ccc[nH]1.CC(C)NCc1cccs1.CC(C)NCc1ccoc1.CC(C)NCc1ccsc1.CC(C)NCc1cnc[nH]1.
What is the InChIKey of N-(furan-3-ylmethyl)propan-2-amine;N-(1H-imidazol-5-ylmethyl)propan-2-amine;N-(1H-pyrrol-2-ylmethyl)propan-2-amine;N-(1H-pyrrol-3-ylmethyl)propan-2-amine;N-(thiophen-2-ylmethyl)propan-2-amine;N-(thiophen-3-ylmethyl)propan-2-amine?
The InChIKey is JBMILLANGWMEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H14N2.C8H13NO.2C8H13NS.C7H13N3/c1-7(2)10-6-8-3-4-9-5-8;1-7(2)10-6-8-4-3-5-9-8;2*1-7(2)9-5-8-3-4-10-6-8;1-7(2)9-6-8-4-3-5-10-8;1-6(2)9-4-7-3-8-5-10-7/h2*3-5,7,9-10H,6H2,1-2H3;2*3-4,6-7,9H,5H2,1-2H3;3-5,7,9H,6H2,1-2H3;3,5-6,9H,4H2,1-2H3,(H,8,10).
What are the key properties of N-(furan-3-ylmethyl)propan-2-amine;N-(1H-imidazol-5-ylmethyl)propan-2-amine;N-(1H-pyrrol-2-ylmethyl)propan-2-amine;N-(1H-pyrrol-3-ylmethyl)propan-2-amine;N-(thiophen-2-ylmethyl)propan-2-amine;N-(thiophen-3-ylmethyl)propan-2-amine?
N-(furan-3-ylmethyl)propan-2-amine;N-(1H-imidazol-5-ylmethyl)propan-2-amine;N-(1H-pyrrol-2-ylmethyl)propan-2-amine;N-(1H-pyrrol-3-ylmethyl)propan-2-amine;N-(thiophen-2-ylmethyl)propan-2-amine;N-(thiophen-3-ylmethyl)propan-2-amine has a molecular weight of 865.36 g/mol, XLogP of 10.20, 18 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)propan-2-amine;N-(1H-imidazol-5-ylmethyl)propan-2-amine;N-(1H-pyrrol-2-ylmethyl)propan-2-amine;N-(1H-pyrrol-3-ylmethyl)propan-2-amine;N-(thiophen-2-ylmethyl)propan-2-amine;N-(thiophen-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 158867981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).