N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)cyclohexanamine

C17H28N2S — CID 134926464

IUPACN-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)cyclohexanamine
SMILESc1csc(CN(CCN2CCCC2)C2CCCCC2)c1
InChIInChI=1S/C17H28N2S/c1-2-7-16(8-3-1)19(15-17-9-6-14-20-17)13-12-18-10-4-5-11-18/h6,9,14,16H,1-5,7-8,10-13,15H2
InChIKeyOAVXNDZTNLRMRX-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.98
Rot. Bonds6

About N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)cyclohexanamine

N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)cyclohexanamine (PubChem CID 134926464) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)cyclohexanamine
PubChem CID134926464
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC NameN-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)cyclohexanamine
SMILESc1csc(CN(CCN2CCCC2)C2CCCCC2)c1
InChIInChI=1S/C17H28N2S/c1-2-7-16(8-3-1)19(15-17-9-6-14-20-17)13-12-18-10-4-5-11-18/h6,9,14,16H,1-5,7-8,10-13,15H2
InChIKeyOAVXNDZTNLRMRX-UHFFFAOYSA-N
XLogP3.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)cyclohexanamine?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)cyclohexanamine (CID 134926464) is N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)cyclohexanamine?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)cyclohexanamine is c1csc(CN(CCN2CCCC2)C2CCCCC2)c1.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)cyclohexanamine?
The InChIKey is OAVXNDZTNLRMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-2-7-16(8-3-1)19(15-17-9-6-14-20-17)13-12-18-10-4-5-11-18/h6,9,14,16H,1-5,7-8,10-13,15H2.
What are the key properties of N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)cyclohexanamine?
N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)cyclohexanamine has a molecular weight of 292.49 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)-N-(thiophen-2-ylmethyl)cyclohexanamine is sourced from PubChem (CID 134926464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).