N-[(6-chloro-3-pyridinyl)methyl]cyclohexanamine

C12H17ClN2 — CID 59828914

IUPACN-[(6-chloro-3-pyridinyl)methyl]cyclohexanamine
SMILESClc1ccc(CNC2CCCCC2)cn1
InChIInChI=1S/C12H17ClN2/c13-12-7-6-10(9-15-12)8-14-11-4-2-1-3-5-11/h6-7,9,11,14H,1-5,8H2
InChIKeyWVCHRXPVBUPNIL-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.16
Rot. Bonds3

About N-[(6-chloro-3-pyridinyl)methyl]cyclohexanamine

N-[(6-chloro-3-pyridinyl)methyl]cyclohexanamine (PubChem CID 59828914) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]cyclohexanamine
PubChem CID59828914
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]cyclohexanamine
SMILESClc1ccc(CNC2CCCCC2)cn1
InChIInChI=1S/C12H17ClN2/c13-12-7-6-10(9-15-12)8-14-11-4-2-1-3-5-11/h6-7,9,11,14H,1-5,8H2
InChIKeyWVCHRXPVBUPNIL-UHFFFAOYSA-N
XLogP3.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine
CID 53385515
N-[(6-chloro-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride
CID 115584748
(3S)-N-[(6-chloro-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride
CID 71639863
N-[(6-chloro-3-pyridinyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 115683740
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-ethoxyphenyl]methyl]cyclooctanamine;dihydrochloride
CID 17055896
N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride
CID 17331622
N-(pyridazin-4-ylmethyl)cyclohexanamine
CID 104670108
2-(aminomethyl)-N-[(6-chloro-3-pyridinyl)methyl]cyclopentan-1-amine
CID 86257637
N-[(6-bromo-3-pyridinyl)methyl]cyclobutanamine
CID 146014724
N-[(6-chloro-3-pyridinyl)methyl]-1-(oxan-2-yl)methanamine
CID 115683652
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
(3R)-N-[(6-chloro-3-pyridinyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 167828703

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]cyclohexanamine?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]cyclohexanamine (CID 59828914) is N-[(6-chloro-3-pyridinyl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]cyclohexanamine?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]cyclohexanamine is Clc1ccc(CNC2CCCCC2)cn1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]cyclohexanamine?
The InChIKey is WVCHRXPVBUPNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c13-12-7-6-10(9-15-12)8-14-11-4-2-1-3-5-11/h6-7,9,11,14H,1-5,8H2.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]cyclohexanamine?
N-[(6-chloro-3-pyridinyl)methyl]cyclohexanamine has a molecular weight of 224.73 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]cyclohexanamine is sourced from PubChem (CID 59828914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).