[2-(5-chlorothiophen-2-yl)-4-propan-2-ylcyclohexyl]methanamine

C14H22ClNS — CID 81012904

IUPAC[2-(5-chlorothiophen-2-yl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)C(c2ccc(Cl)s2)C1
InChIInChI=1S/C14H22ClNS/c1-9(2)10-3-4-11(8-16)12(7-10)13-5-6-14(15)17-13/h5-6,9-12H,3-4,7-8,16H2,1-2H3
InChIKeyXPVVMWSYQPKKIY-UHFFFAOYSA-N
MW271.86 g/mol
LogP4.52
Rot. Bonds3

About [2-(5-chlorothiophen-2-yl)-4-propan-2-ylcyclohexyl]methanamine

[2-(5-chlorothiophen-2-yl)-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 81012904) has the molecular formula C14H22ClNS and a molecular weight of 271.86 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-4-propan-2-ylcyclohexyl]methanamine
PubChem CID81012904
Molecular FormulaC14H22ClNS
Molecular Weight271.86 g/mol
Exact Mass271.12
IUPAC Name[2-(5-chlorothiophen-2-yl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)C(c2ccc(Cl)s2)C1
InChIInChI=1S/C14H22ClNS/c1-9(2)10-3-4-11(8-16)12(7-10)13-5-6-14(15)17-13/h5-6,9-12H,3-4,7-8,16H2,1-2H3
InChIKeyXPVVMWSYQPKKIY-UHFFFAOYSA-N
XLogP4.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.86
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-4-propan-2-ylcyclohexyl]methanamine (CID 81012904) is [2-(5-chlorothiophen-2-yl)-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-4-propan-2-ylcyclohexyl]methanamine is CC(C)C1CCC(CN)C(c2ccc(Cl)s2)C1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is XPVVMWSYQPKKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNS/c1-9(2)10-3-4-11(8-16)12(7-10)13-5-6-14(15)17-13/h5-6,9-12H,3-4,7-8,16H2,1-2H3.
What are the key properties of [2-(5-chlorothiophen-2-yl)-4-propan-2-ylcyclohexyl]methanamine?
[2-(5-chlorothiophen-2-yl)-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 271.86 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 81012904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).