N-[cyclopentyl(thiophen-2-yl)methyl]azepan-4-amine

C16H26N2S — CID 103981438

IUPACN-[cyclopentyl(thiophen-2-yl)methyl]azepan-4-amine
SMILESc1csc(C(NC2CCCNCC2)C2CCCC2)c1
InChIInChI=1S/C16H26N2S/c1-2-6-13(5-1)16(15-8-4-12-19-15)18-14-7-3-10-17-11-9-14/h4,8,12-14,16-18H,1-3,5-7,9-11H2
InChIKeyAAUHJEGRQOQEBZ-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.71
Rot. Bonds4

About N-[cyclopentyl(thiophen-2-yl)methyl]azepan-4-amine

N-[cyclopentyl(thiophen-2-yl)methyl]azepan-4-amine (PubChem CID 103981438) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-[cyclopentyl(thiophen-2-yl)methyl]azepan-4-amine.

Molecular Properties

Compound NameN-[cyclopentyl(thiophen-2-yl)methyl]azepan-4-amine
PubChem CID103981438
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC NameN-[cyclopentyl(thiophen-2-yl)methyl]azepan-4-amine
SMILESc1csc(C(NC2CCCNCC2)C2CCCC2)c1
InChIInChI=1S/C16H26N2S/c1-2-6-13(5-1)16(15-8-4-12-19-15)18-14-7-3-10-17-11-9-14/h4,8,12-14,16-18H,1-3,5-7,9-11H2
InChIKeyAAUHJEGRQOQEBZ-UHFFFAOYSA-N
XLogP3.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683
N-[(R)-cyclopropyl(thiophen-2-yl)methyl]cyclobutanamine
CID 51921587
N-[cyclopropyl(thiophen-2-yl)methyl]thian-4-amine
CID 115576085
N-[cyclopentyl(thiophen-2-yl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 43740557
N-[cyclopentyl(thiophen-2-yl)methyl]piperidine-4-carboxamide
CID 43697912
1-cyclopentyl-N-(piperidin-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 80554170
4-N-[cyclopropyl(thiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 55062292
N-[cyclopentyl(thiophen-2-yl)methyl]-5-methylthiolan-3-amine
CID 79942468
N-(dithiophen-2-ylmethyl)cyclopentanamine
CID 43756506
N-[(1R)-1-thiophen-2-ylethyl]piperidin-3-amine
CID 81398343
N-[cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 61462402
[cyclooctyl(thiophen-2-yl)methyl]hydrazine
CID 105255061

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]azepan-4-amine?
The IUPAC name of N-[cyclopentyl(thiophen-2-yl)methyl]azepan-4-amine (CID 103981438) is N-[cyclopentyl(thiophen-2-yl)methyl]azepan-4-amine.
What is the SMILES notation for N-[cyclopentyl(thiophen-2-yl)methyl]azepan-4-amine?
The canonical SMILES for N-[cyclopentyl(thiophen-2-yl)methyl]azepan-4-amine is c1csc(C(NC2CCCNCC2)C2CCCC2)c1.
What is the InChIKey of N-[cyclopentyl(thiophen-2-yl)methyl]azepan-4-amine?
The InChIKey is AAUHJEGRQOQEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-2-6-13(5-1)16(15-8-4-12-19-15)18-14-7-3-10-17-11-9-14/h4,8,12-14,16-18H,1-3,5-7,9-11H2.
What are the key properties of N-[cyclopentyl(thiophen-2-yl)methyl]azepan-4-amine?
N-[cyclopentyl(thiophen-2-yl)methyl]azepan-4-amine has a molecular weight of 278.46 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl(thiophen-2-yl)methyl]azepan-4-amine is sourced from PubChem (CID 103981438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).