N-(cyclohexylmethyl)-1-cyclopropyl-5-thiophen-2-ylpiperidin-3-amine

C19H30N2S — CID 83998686

IUPACN-(cyclohexylmethyl)-1-cyclopropyl-5-thiophen-2-ylpiperidin-3-amine
SMILESc1csc(C2CC(NCC3CCCCC3)CN(C3CC3)C2)c1
InChIInChI=1S/C19H30N2S/c1-2-5-15(6-3-1)12-20-17-11-16(19-7-4-10-22-19)13-21(14-17)18-8-9-18/h4,7,10,15-18,20H,1-3,5-6,8-9,11-14H2
InChIKeyLWIWTNSSLIRGOW-UHFFFAOYSA-N
MW318.53 g/mol
LogP4.24
Rot. Bonds5

About N-(cyclohexylmethyl)-1-cyclopropyl-5-thiophen-2-ylpiperidin-3-amine

N-(cyclohexylmethyl)-1-cyclopropyl-5-thiophen-2-ylpiperidin-3-amine (PubChem CID 83998686) has the molecular formula C19H30N2S and a molecular weight of 318.53 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-cyclopropyl-5-thiophen-2-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-cyclopropyl-5-thiophen-2-ylpiperidin-3-amine
PubChem CID83998686
Molecular FormulaC19H30N2S
Molecular Weight318.53 g/mol
Exact Mass318.21
IUPAC NameN-(cyclohexylmethyl)-1-cyclopropyl-5-thiophen-2-ylpiperidin-3-amine
SMILESc1csc(C2CC(NCC3CCCCC3)CN(C3CC3)C2)c1
InChIInChI=1S/C19H30N2S/c1-2-5-15(6-3-1)12-20-17-11-16(19-7-4-10-22-19)13-21(14-17)18-8-9-18/h4,7,10,15-18,20H,1-3,5-6,8-9,11-14H2
InChIKeyLWIWTNSSLIRGOW-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-1-methyl-5-thiophen-2-ylpiperidin-3-amine
CID 83998289
1-cyclopropyl-N-(2,2-difluoroethyl)-5-thiophen-2-ylpiperidin-3-amine
CID 83993153
methyl N-(1-cyclopropyl-5-thiophen-2-ylpiperidin-3-yl)carbamate
CID 112543340
1-ethyl-N-methyl-5-thiophen-2-ylpiperidin-3-amine
CID 83989566
N-(cyclohexylmethyl)-1-methyl-5-(thiophen-2-ylmethyl)piperidin-3-amine
CID 83998292
1-cyclohexyl-N-(cyclopentylmethyl)-5-ethylpiperidin-3-amine
CID 83998013
5-(cyclohexylmethylamino)-1-cyclopentylpiperidine-3-carboxylic acid
CID 83998672
N-(cyclohexylmethyl)-1-cyclopropylpiperidin-3-amine
CID 83998678
N-(2,2-difluoroethyl)-1-ethyl-5-thiophen-2-ylpiperidin-3-amine
CID 83992794
N-(cyclohexylmethyl)-5-phenyl-1-propan-2-ylpiperidin-3-amine
CID 83998453
N-(cyclohexylmethyl)-3-phenylcyclobutan-1-amine
CID 43632316
2-[1-cyclobutyl-5-(cyclobutylmethylamino)piperidin-3-yl]ethanol
CID 83997337

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-cyclopropyl-5-thiophen-2-ylpiperidin-3-amine?
The IUPAC name of N-(cyclohexylmethyl)-1-cyclopropyl-5-thiophen-2-ylpiperidin-3-amine (CID 83998686) is N-(cyclohexylmethyl)-1-cyclopropyl-5-thiophen-2-ylpiperidin-3-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-cyclopropyl-5-thiophen-2-ylpiperidin-3-amine?
The canonical SMILES for N-(cyclohexylmethyl)-1-cyclopropyl-5-thiophen-2-ylpiperidin-3-amine is c1csc(C2CC(NCC3CCCCC3)CN(C3CC3)C2)c1.
What is the InChIKey of N-(cyclohexylmethyl)-1-cyclopropyl-5-thiophen-2-ylpiperidin-3-amine?
The InChIKey is LWIWTNSSLIRGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2S/c1-2-5-15(6-3-1)12-20-17-11-16(19-7-4-10-22-19)13-21(14-17)18-8-9-18/h4,7,10,15-18,20H,1-3,5-6,8-9,11-14H2.
What are the key properties of N-(cyclohexylmethyl)-1-cyclopropyl-5-thiophen-2-ylpiperidin-3-amine?
N-(cyclohexylmethyl)-1-cyclopropyl-5-thiophen-2-ylpiperidin-3-amine has a molecular weight of 318.53 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-cyclopropyl-5-thiophen-2-ylpiperidin-3-amine is sourced from PubChem (CID 83998686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).