N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine

C13H19N3S — CID 60697416

IUPACN-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCCn1ccnc1)c1cccs1
InChIInChI=1S/C13H19N3S/c1-11(2)13(12-4-3-9-17-12)15-6-8-16-7-5-14-10-16/h3-5,7,9-11,13,15H,6,8H2,1-2H3
InChIKeyPMLDRBNAOCCKLN-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.93
Rot. Bonds6

About N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine

N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine (PubChem CID 60697416) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
PubChem CID60697416
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCCn1ccnc1)c1cccs1
InChIInChI=1S/C13H19N3S/c1-11(2)13(12-4-3-9-17-12)15-6-8-16-7-5-14-10-16/h3-5,7,9-11,13,15H,6,8H2,1-2H3
InChIKeyPMLDRBNAOCCKLN-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2-imidazol-1-ylethanamine
CID 61324705
2-(1-imidazol-1-ylpropan-2-ylamino)-1-thiophen-2-ylethanol
CID 54958917
(1S)-3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol
CID 129406015
1-(2-chloro-2-thiophen-2-ylethyl)imidazole
CID 19870532
1-(5-bromothiophen-2-yl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61323680
2-methyl-1-thiophen-2-yl-N-[3-(triazol-1-yl)propyl]propan-1-amine
CID 113412535
2-imidazol-1-yl-1-thiophen-2-ylethanethiol
CID 57037505
1-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]pyridin-2-one
CID 78986308
3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine
CID 43225862
N-[cyclopentyl(thiophen-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 43773858
N-(3-imidazol-1-ylpropyl)thiophen-2-amine
CID 91018147
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 61240692

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine (CID 60697416) is N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine is CC(C)C(NCCn1ccnc1)c1cccs1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine?
The InChIKey is PMLDRBNAOCCKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-11(2)13(12-4-3-9-17-12)15-6-8-16-7-5-14-10-16/h3-5,7,9-11,13,15H,6,8H2,1-2H3.
What are the key properties of N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine?
N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 60697416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).