N-[(1-propylcyclopropyl)methyl]-1-thiophen-3-ylmethanamine

C12H19NS — CID 115696320

IUPACN-[(1-propylcyclopropyl)methyl]-1-thiophen-3-ylmethanamine
SMILESCCCC1(CNCc2ccsc2)CC1
InChIInChI=1S/C12H19NS/c1-2-4-12(5-6-12)10-13-8-11-3-7-14-9-11/h3,7,9,13H,2,4-6,8,10H2,1H3
InChIKeyXLBQCUFVCWNDRP-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.42
Rot. Bonds6

About N-[(1-propylcyclopropyl)methyl]-1-thiophen-3-ylmethanamine

N-[(1-propylcyclopropyl)methyl]-1-thiophen-3-ylmethanamine (PubChem CID 115696320) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-[(1-propylcyclopropyl)methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[(1-propylcyclopropyl)methyl]-1-thiophen-3-ylmethanamine
PubChem CID115696320
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-[(1-propylcyclopropyl)methyl]-1-thiophen-3-ylmethanamine
SMILESCCCC1(CNCc2ccsc2)CC1
InChIInChI=1S/C12H19NS/c1-2-4-12(5-6-12)10-13-8-11-3-7-14-9-11/h3,7,9,13H,2,4-6,8,10H2,1H3
InChIKeyXLBQCUFVCWNDRP-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-thiophen-3-ylmethanamine
CID 115735920
N-[(1-methylcyclobutyl)methyl]-1-thiophen-3-ylmethanamine;hydrochloride
CID 115680477
1-[(thiophen-3-ylmethylamino)methyl]cyclopropan-1-amine
CID 65460029
N-[[1-(thiophen-3-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 65194994
1-[(thiophen-3-ylmethylamino)methyl]cyclopentan-1-ol
CID 63932881
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-thiophen-3-ylethanamine
CID 114757595
1-(1-methylpyrrol-3-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 115868047
1-(4-methylsulfanylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 114099622
N-(thiophen-3-ylmethyl)butan-1-amine;hydrochloride
CID 17332318
3-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine
CID 64891433
1-(3-fluoro-4-methylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 114099677
N-[(1-propylcyclobutyl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 115694288

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylcyclopropyl)methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[(1-propylcyclopropyl)methyl]-1-thiophen-3-ylmethanamine (CID 115696320) is N-[(1-propylcyclopropyl)methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[(1-propylcyclopropyl)methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[(1-propylcyclopropyl)methyl]-1-thiophen-3-ylmethanamine is CCCC1(CNCc2ccsc2)CC1.
What is the InChIKey of N-[(1-propylcyclopropyl)methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is XLBQCUFVCWNDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-2-4-12(5-6-12)10-13-8-11-3-7-14-9-11/h3,7,9,13H,2,4-6,8,10H2,1H3.
What are the key properties of N-[(1-propylcyclopropyl)methyl]-1-thiophen-3-ylmethanamine?
N-[(1-propylcyclopropyl)methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 209.36 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylcyclopropyl)methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 115696320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).