4-propyl-N-(1-thiophen-2-ylbutyl)cycloheptan-1-amine

C18H31NS — CID 65091558

IUPAC4-propyl-N-(1-thiophen-2-ylbutyl)cycloheptan-1-amine
SMILESCCCC1CCCC(NC(CCC)c2cccs2)CC1
InChIInChI=1S/C18H31NS/c1-3-7-15-9-5-10-16(13-12-15)19-17(8-4-2)18-11-6-14-20-18/h6,11,14-17,19H,3-5,7-10,12-13H2,1-2H3
InChIKeyKLRLYHIZXVHVHV-UHFFFAOYSA-N
MW293.52 g/mol
LogP5.93
Rot. Bonds7

About 4-propyl-N-(1-thiophen-2-ylbutyl)cycloheptan-1-amine

4-propyl-N-(1-thiophen-2-ylbutyl)cycloheptan-1-amine (PubChem CID 65091558) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is 4-propyl-N-(1-thiophen-2-ylbutyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-propyl-N-(1-thiophen-2-ylbutyl)cycloheptan-1-amine
PubChem CID65091558
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC Name4-propyl-N-(1-thiophen-2-ylbutyl)cycloheptan-1-amine
SMILESCCCC1CCCC(NC(CCC)c2cccs2)CC1
InChIInChI=1S/C18H31NS/c1-3-7-15-9-5-10-16(13-12-15)19-17(8-4-2)18-11-6-14-20-18/h6,11,14-17,19H,3-5,7-10,12-13H2,1-2H3
InChIKeyKLRLYHIZXVHVHV-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.52
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-propyl-N-(1-thiophen-2-ylbutyl)cycloheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-thiophen-2-ylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754879
3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 55194083
4-methoxy-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 113414380
N-(2-methyl-1-thiophen-2-ylpropyl)-4-propylcyclohexan-1-amine
CID 43225917
3-ethoxy-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine
CID 112553091
N-[(4-tert-butylcyclohexyl)methyl]-1-thiophen-2-ylbutan-1-amine
CID 104575012
N-(1-thiophen-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63454457
4-propyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine
CID 43432822
4-propyl-N-(1-pyridin-4-ylethyl)cycloheptan-1-amine
CID 65087218
2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine
CID 79957676
N-(1-thiophen-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898737
N-(2-methyl-1-phenylpropyl)-4-propylcycloheptan-1-amine
CID 65086617

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-(1-thiophen-2-ylbutyl)cycloheptan-1-amine?
The IUPAC name of 4-propyl-N-(1-thiophen-2-ylbutyl)cycloheptan-1-amine (CID 65091558) is 4-propyl-N-(1-thiophen-2-ylbutyl)cycloheptan-1-amine.
What is the SMILES notation for 4-propyl-N-(1-thiophen-2-ylbutyl)cycloheptan-1-amine?
The canonical SMILES for 4-propyl-N-(1-thiophen-2-ylbutyl)cycloheptan-1-amine is CCCC1CCCC(NC(CCC)c2cccs2)CC1.
What is the InChIKey of 4-propyl-N-(1-thiophen-2-ylbutyl)cycloheptan-1-amine?
The InChIKey is KLRLYHIZXVHVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c1-3-7-15-9-5-10-16(13-12-15)19-17(8-4-2)18-11-6-14-20-18/h6,11,14-17,19H,3-5,7-10,12-13H2,1-2H3.
What are the key properties of 4-propyl-N-(1-thiophen-2-ylbutyl)cycloheptan-1-amine?
4-propyl-N-(1-thiophen-2-ylbutyl)cycloheptan-1-amine has a molecular weight of 293.52 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-(1-thiophen-2-ylbutyl)cycloheptan-1-amine is sourced from PubChem (CID 65091558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).