3-cyclopropyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclohexan-1-amine

C17H27NS — CID 64594870

IUPAC3-cyclopropyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclohexan-1-amine
SMILESCC(C)C(NC1CCCC(C2CC2)C1)c1cccs1
InChIInChI=1S/C17H27NS/c1-12(2)17(16-7-4-10-19-16)18-15-6-3-5-14(11-15)13-8-9-13/h4,7,10,12-15,17-18H,3,5-6,8-9,11H2,1-2H3
InChIKeyWVRTVSVLLNGPBY-UHFFFAOYSA-N
MW277.48 g/mol
LogP5.00
Rot. Bonds5

About 3-cyclopropyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclohexan-1-amine

3-cyclopropyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclohexan-1-amine (PubChem CID 64594870) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclohexan-1-amine
PubChem CID64594870
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name3-cyclopropyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclohexan-1-amine
SMILESCC(C)C(NC1CCCC(C2CC2)C1)c1cccs1
InChIInChI=1S/C17H27NS/c1-12(2)17(16-7-4-10-19-16)18-15-6-3-5-14(11-15)13-8-9-13/h4,7,10,12-15,17-18H,3,5-6,8-9,11H2,1-2H3
InChIKeyWVRTVSVLLNGPBY-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.48
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclohexan-1-amine?
The IUPAC name of 3-cyclopropyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclohexan-1-amine (CID 64594870) is 3-cyclopropyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclohexan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclohexan-1-amine is CC(C)C(NC1CCCC(C2CC2)C1)c1cccs1.
What is the InChIKey of 3-cyclopropyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclohexan-1-amine?
The InChIKey is WVRTVSVLLNGPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-12(2)17(16-7-4-10-19-16)18-15-6-3-5-14(11-15)13-8-9-13/h4,7,10,12-15,17-18H,3,5-6,8-9,11H2,1-2H3.
What are the key properties of 3-cyclopropyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclohexan-1-amine?
3-cyclopropyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclohexan-1-amine has a molecular weight of 277.48 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 64594870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).