2-(chloromethyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine

C14H21ClN2 — CID 106365313

IUPAC2-(chloromethyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
SMILESCc1cccnc1CNC1CCCCC1CCl
InChIInChI=1S/C14H21ClN2/c1-11-5-4-8-16-14(11)10-17-13-7-3-2-6-12(13)9-15/h4-5,8,12-13,17H,2-3,6-7,9-10H2,1H3
InChIKeyMKDLMWXVKVCLPJ-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.28
Rot. Bonds4

About 2-(chloromethyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine

2-(chloromethyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine (PubChem CID 106365313) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-(chloromethyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
PubChem CID106365313
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-(chloromethyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
SMILESCc1cccnc1CNC1CCCCC1CCl
InChIInChI=1S/C14H21ClN2/c1-11-5-4-8-16-14(11)10-17-13-7-3-2-6-12(13)9-15/h4-5,8,12-13,17H,2-3,6-7,9-10H2,1H3
InChIKeyMKDLMWXVKVCLPJ-UHFFFAOYSA-N
XLogP3.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol
CID 63306112
2-tert-butyl-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 63305408
trans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol
CID 102733463
N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylcyclohexan-1-amine
CID 103782069
2-[(3-methyl-2-pyridinyl)methylamino]cyclopentane-1-carbonitrile
CID 63305762
N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine
CID 63305574
3-ethyl-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 112650199
N-[2-(chloromethyl)cyclohexyl]-3-methylpyridine-2-carboxamide
CID 114179571
2-methyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 115338606
2-ethyl-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 113483486
2-cyclopropyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 113384129
4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 79740955

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-(chloromethyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine (CID 106365313) is 2-(chloromethyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-(chloromethyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-(chloromethyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine is Cc1cccnc1CNC1CCCCC1CCl.
What is the InChIKey of 2-(chloromethyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine?
The InChIKey is MKDLMWXVKVCLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11-5-4-8-16-14(11)10-17-13-7-3-2-6-12(13)9-15/h4-5,8,12-13,17H,2-3,6-7,9-10H2,1H3.
What are the key properties of 2-(chloromethyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine?
2-(chloromethyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine has a molecular weight of 252.79 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 106365313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).