2-pyrrolidin-2-yl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine

C18H30N2S — CID 79536699

IUPAC2-pyrrolidin-2-yl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
SMILESCCCC(NC1CCCCC1C1CCCN1)c1cccs1
InChIInChI=1S/C18H30N2S/c1-2-7-17(18-11-6-13-21-18)20-16-9-4-3-8-14(16)15-10-5-12-19-15/h6,11,13-17,19-20H,2-5,7-10,12H2,1H3
InChIKeyUPNKRGRSRHPENU-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.49
Rot. Bonds6

About 2-pyrrolidin-2-yl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine

2-pyrrolidin-2-yl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine (PubChem CID 79536699) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
PubChem CID79536699
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC Name2-pyrrolidin-2-yl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
SMILESCCCC(NC1CCCCC1C1CCCN1)c1cccs1
InChIInChI=1S/C18H30N2S/c1-2-7-17(18-11-6-13-21-18)20-16-9-4-3-8-14(16)15-10-5-12-19-15/h6,11,13-17,19-20H,2-5,7-10,12H2,1H3
InChIKeyUPNKRGRSRHPENU-UHFFFAOYSA-N
XLogP4.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrrolidin-2-yl-N-[(1S)-1-thiophen-2-ylethyl]cyclopentan-1-amine
CID 81398761
2-(1-thiophen-2-ylbutylamino)cyclohexane-1-carbonitrile
CID 62741344
2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine
CID 79957676
2-piperidin-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine
CID 79541546
N-(1-thiophen-2-ylbutyl)pyrrolidine-2-carboxamide
CID 54962408
N-(1-thiophen-2-ylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853218
N-octan-4-yl-2-piperidin-2-ylcyclohexan-1-amine
CID 106023087
4-methoxy-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 113414380
3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 55194083
2-tert-butyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 43673863
3-ethoxy-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine
CID 112553091
N-ethoxy-2-piperidin-2-ylcyclohexan-1-amine
CID 82710395

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine?
The IUPAC name of 2-pyrrolidin-2-yl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine (CID 79536699) is 2-pyrrolidin-2-yl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 2-pyrrolidin-2-yl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine?
The canonical SMILES for 2-pyrrolidin-2-yl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine is CCCC(NC1CCCCC1C1CCCN1)c1cccs1.
What is the InChIKey of 2-pyrrolidin-2-yl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine?
The InChIKey is UPNKRGRSRHPENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-2-7-17(18-11-6-13-21-18)20-16-9-4-3-8-14(16)15-10-5-12-19-15/h6,11,13-17,19-20H,2-5,7-10,12H2,1H3.
What are the key properties of 2-pyrrolidin-2-yl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine?
2-pyrrolidin-2-yl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine has a molecular weight of 306.52 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 79536699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).