N-[cyclopentyl(thiophen-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine

C16H23N3S — CID 43773858

IUPACN-[cyclopentyl(thiophen-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine
SMILESc1csc(C(NCCCn2ccnc2)C2CCCC2)c1
InChIInChI=1S/C16H23N3S/c1-2-6-14(5-1)16(15-7-3-12-20-15)18-8-4-10-19-11-9-17-13-19/h3,7,9,11-14,16,18H,1-2,4-6,8,10H2
InChIKeySBMKNVQPEYIPPQ-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.86
Rot. Bonds7

About N-[cyclopentyl(thiophen-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine

N-[cyclopentyl(thiophen-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine (PubChem CID 43773858) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[cyclopentyl(thiophen-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[cyclopentyl(thiophen-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine
PubChem CID43773858
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-[cyclopentyl(thiophen-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine
SMILESc1csc(C(NCCCn2ccnc2)C2CCCC2)c1
InChIInChI=1S/C16H23N3S/c1-2-6-14(5-1)16(15-7-3-12-20-15)18-8-4-10-19-11-9-17-13-19/h3,7,9,11-14,16,18H,1-2,4-6,8,10H2
InChIKeySBMKNVQPEYIPPQ-UHFFFAOYSA-N
XLogP3.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43768039
N-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine
CID 115704905
2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 61170868
N-(3-imidazol-1-ylpropyl)thiophen-2-amine
CID 91018147
N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 60697416
1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-1-amine
CID 115704915
N-(1-cyclopropylethyl)-3-imidazol-1-ylpropan-1-amine
CID 43126800
N-[(1R)-1-cyclopropylethyl]-3-imidazol-1-ylpropan-1-amine
CID 28993992
N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683
(1S)-3-imidazol-1-yl-1-thiophen-2-ylpropan-1-ol
CID 129406015
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
1-(2-chloro-2-thiophen-2-ylethyl)imidazole
CID 19870532

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine (CID 43773858) is N-[cyclopentyl(thiophen-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[cyclopentyl(thiophen-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-[cyclopentyl(thiophen-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine is c1csc(C(NCCCn2ccnc2)C2CCCC2)c1.
What is the InChIKey of N-[cyclopentyl(thiophen-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine?
The InChIKey is SBMKNVQPEYIPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-2-6-14(5-1)16(15-7-3-12-20-15)18-8-4-10-19-11-9-17-13-19/h3,7,9,11-14,16,18H,1-2,4-6,8,10H2.
What are the key properties of N-[cyclopentyl(thiophen-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine?
N-[cyclopentyl(thiophen-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine has a molecular weight of 289.45 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(thiophen-2-yl)methyl]-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 43773858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).