1-(1-amino-3-thiophen-3-ylpropyl)-N,N,3-trimethylcyclohexan-1-amine

C16H28N2S — CID 79074834

IUPAC1-(1-amino-3-thiophen-3-ylpropyl)-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(C(N)CCc2ccsc2)(N(C)C)C1
InChIInChI=1S/C16H28N2S/c1-13-5-4-9-16(11-13,18(2)3)15(17)7-6-14-8-10-19-12-14/h8,10,12-13,15H,4-7,9,11,17H2,1-3H3
InChIKeyVACFCLUGSMNHML-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.52
Rot. Bonds5

About 1-(1-amino-3-thiophen-3-ylpropyl)-N,N,3-trimethylcyclohexan-1-amine

1-(1-amino-3-thiophen-3-ylpropyl)-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 79074834) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-(1-amino-3-thiophen-3-ylpropyl)-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(1-amino-3-thiophen-3-ylpropyl)-N,N,3-trimethylcyclohexan-1-amine
PubChem CID79074834
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-(1-amino-3-thiophen-3-ylpropyl)-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(C(N)CCc2ccsc2)(N(C)C)C1
InChIInChI=1S/C16H28N2S/c1-13-5-4-9-16(11-13,18(2)3)15(17)7-6-14-8-10-19-12-14/h8,10,12-13,15H,4-7,9,11,17H2,1-3H3
InChIKeyVACFCLUGSMNHML-UHFFFAOYSA-N
XLogP3.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,3-trimethyl-1-[1-(methylamino)-3-thiophen-3-ylpropyl]cyclohexan-1-amine
CID 79074622
1-(1-ethoxy-3-methylcyclohexyl)-3-thiophen-3-ylpropan-1-amine
CID 116768130
1-(1-amino-2-thiophen-3-ylethyl)-N,N-dimethylcyclopentan-1-amine
CID 79069750
1-(1-amino-4-methylpent-4-enyl)-N,N,3-trimethylcyclohexan-1-amine
CID 114475288
N,N-dimethyl-1-[1-(methylamino)-3-thiophen-3-ylpropyl]cycloheptan-1-amine
CID 79080663
1-(2,2-dimethylcyclopentyl)-3-thiophen-3-ylpropan-1-amine
CID 107188789
1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcycloheptan-1-amine
CID 79064190
1-[1-(ethylamino)-3-thiophen-3-ylpropyl]-N,N-dimethylcyclohexan-1-amine
CID 79066376
1-[1-amino-2-(5-chlorothiophen-2-yl)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074614
1-[amino(thiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074325
1-[amino-(3-chlorothiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 107359933
1-amino-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide
CID 64550653

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-3-thiophen-3-ylpropyl)-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(1-amino-3-thiophen-3-ylpropyl)-N,N,3-trimethylcyclohexan-1-amine (CID 79074834) is 1-(1-amino-3-thiophen-3-ylpropyl)-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(1-amino-3-thiophen-3-ylpropyl)-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(1-amino-3-thiophen-3-ylpropyl)-N,N,3-trimethylcyclohexan-1-amine is CC1CCCC(C(N)CCc2ccsc2)(N(C)C)C1.
What is the InChIKey of 1-(1-amino-3-thiophen-3-ylpropyl)-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is VACFCLUGSMNHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-13-5-4-9-16(11-13,18(2)3)15(17)7-6-14-8-10-19-12-14/h8,10,12-13,15H,4-7,9,11,17H2,1-3H3.
What are the key properties of 1-(1-amino-3-thiophen-3-ylpropyl)-N,N,3-trimethylcyclohexan-1-amine?
1-(1-amino-3-thiophen-3-ylpropyl)-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3-thiophen-3-ylpropyl)-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79074834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).