N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine

C17H27ClN2O — CID 103969062

IUPACN-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine
SMILESCOc1c(C)cnc(CNCC2(CCl)CCCCC2)c1C
InChIInChI=1S/C17H27ClN2O/c1-13-9-20-15(14(2)16(13)21-3)10-19-12-17(11-18)7-5-4-6-8-17/h9,19H,4-8,10-12H2,1-3H3
InChIKeyVCPURKREFKTCCV-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.99
Rot. Bonds6

About N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine

N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine (PubChem CID 103969062) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine
PubChem CID103969062
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine
SMILESCOc1c(C)cnc(CNCC2(CCl)CCCCC2)c1C
InChIInChI=1S/C17H27ClN2O/c1-13-9-20-15(14(2)16(13)21-3)10-19-12-17(11-18)7-5-4-6-8-17/h9,19H,4-8,10-12H2,1-3H3
InChIKeyVCPURKREFKTCCV-UHFFFAOYSA-N
XLogP3.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine with MolForge

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Related Compounds

2-(Chloromethyl)-3,5-dimethyl-4-methoxypyridine hydrochloride
CID 11694258
(4-Methoxy-3,5-dimethylpyridin-2-yl)methanamine
CID 14645997
2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine
CID 819992
[(4-Methoxy-3,5-dimethylpyridin-2-yl)methyl](methyl)amine
CID 28399741
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexanamine
CID 47090457
4-Methoxy-N,N,3,5-tetramethyl-2-pyridinemethanamine
CID 25313156
2-(Azidomethyl)-4-methoxy-3,5-dimethylpyridine
CID 25219407
N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]propan-1-amine
CID 16459993
N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-2-methylpropan-1-amine
CID 25219416
1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N-methylpiperidin-4-amine
CID 50989056
1-(4-Methoxy-3,5-dimethylpyridin-2-yl)-N-methylmethanamine--hydrogen chloride (1/2)
CID 53433546
1-(4-Methoxy-3,5-dimethylpyridin-2-yl)-N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N-methylmethanamine
CID 169449567

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine?
The IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine (CID 103969062) is N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine?
The canonical SMILES for N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine is COc1c(C)cnc(CNCC2(CCl)CCCCC2)c1C.
What is the InChIKey of N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine?
The InChIKey is VCPURKREFKTCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-13-9-20-15(14(2)16(13)21-3)10-19-12-17(11-18)7-5-4-6-8-17/h9,19H,4-8,10-12H2,1-3H3.
What are the key properties of N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine?
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine has a molecular weight of 310.87 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine is sourced from PubChem (CID 103969062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).