(5-chloro-6-cyclohexyl-3-pyridinyl)methanamine

C12H17ClN2 — CID 105482707

IUPAC(5-chloro-6-cyclohexyl-3-pyridinyl)methanamine
SMILESNCc1cnc(C2CCCCC2)c(Cl)c1
InChIInChI=1S/C12H17ClN2/c13-11-6-9(7-14)8-15-12(11)10-4-2-1-3-5-10/h6,8,10H,1-5,7,14H2
InChIKeyYAANSPIONUIRQP-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.24
Rot. Bonds2

About (5-chloro-6-cyclohexyl-3-pyridinyl)methanamine

(5-chloro-6-cyclohexyl-3-pyridinyl)methanamine (PubChem CID 105482707) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is (5-chloro-6-cyclohexyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(5-chloro-6-cyclohexyl-3-pyridinyl)methanamine
PubChem CID105482707
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name(5-chloro-6-cyclohexyl-3-pyridinyl)methanamine
SMILESNCc1cnc(C2CCCCC2)c(Cl)c1
InChIInChI=1S/C12H17ClN2/c13-11-6-9(7-14)8-15-12(11)10-4-2-1-3-5-10/h6,8,10H,1-5,7,14H2
InChIKeyYAANSPIONUIRQP-UHFFFAOYSA-N
XLogP3.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-6-cyclohexyl-3-pyridinyl)methanamine?
The IUPAC name of (5-chloro-6-cyclohexyl-3-pyridinyl)methanamine (CID 105482707) is (5-chloro-6-cyclohexyl-3-pyridinyl)methanamine.
What is the SMILES notation for (5-chloro-6-cyclohexyl-3-pyridinyl)methanamine?
The canonical SMILES for (5-chloro-6-cyclohexyl-3-pyridinyl)methanamine is NCc1cnc(C2CCCCC2)c(Cl)c1.
What is the InChIKey of (5-chloro-6-cyclohexyl-3-pyridinyl)methanamine?
The InChIKey is YAANSPIONUIRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c13-11-6-9(7-14)8-15-12(11)10-4-2-1-3-5-10/h6,8,10H,1-5,7,14H2.
What are the key properties of (5-chloro-6-cyclohexyl-3-pyridinyl)methanamine?
(5-chloro-6-cyclohexyl-3-pyridinyl)methanamine has a molecular weight of 224.73 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-6-cyclohexyl-3-pyridinyl)methanamine is sourced from PubChem (CID 105482707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).