1-(chloromethyl)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine

C14H24ClN3 — CID 103015202

IUPAC1-(chloromethyl)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCCC(CCl)(NCCc2cnn(C)c2)C1
InChIInChI=1S/C14H24ClN3/c1-12-4-3-6-14(8-12,11-15)16-7-5-13-9-17-18(2)10-13/h9-10,12,16H,3-8,11H2,1-2H3
InChIKeyVIWGVVBYAZXCDD-UHFFFAOYSA-N
MW269.82 g/mol
LogP2.74
Rot. Bonds5

About 1-(chloromethyl)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine

1-(chloromethyl)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine (PubChem CID 103015202) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(chloromethyl)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
PubChem CID103015202
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC Name1-(chloromethyl)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCCC(CCl)(NCCc2cnn(C)c2)C1
InChIInChI=1S/C14H24ClN3/c1-12-4-3-6-14(8-12,11-15)16-7-5-13-9-17-18(2)10-13/h9-10,12,16H,3-8,11H2,1-2H3
InChIKeyVIWGVVBYAZXCDD-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethyl)-3-methyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 65030361
N-[1-(chloromethyl)-3-methylcyclohexyl]-1-methylpyrazole-4-sulfonamide
CID 65032368
1-(chloromethyl)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 107054049
N,N,3-trimethyl-1-[1-(methylamino)-3-(1-methylpyrazol-4-yl)propyl]cyclohexan-1-amine
CID 103011187
[1-(1-methoxy-3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103027134
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006291
N-[(4-bromophenyl)methyl]-1-(chloromethyl)-3-methylcyclohexan-1-amine
CID 65030016
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-amine
CID 103007104
[3,3,5-trimethyl-1-[3-(1-methylpyrazol-4-yl)propylamino]cyclohexyl]methanol
CID 111757457
N,N,3-trimethyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 61212484
N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166
2-(chloromethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 106365346

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine (CID 103015202) is 1-(chloromethyl)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine is CC1CCCC(CCl)(NCCc2cnn(C)c2)C1.
What is the InChIKey of 1-(chloromethyl)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine?
The InChIKey is VIWGVVBYAZXCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-12-4-3-6-14(8-12,11-15)16-7-5-13-9-17-18(2)10-13/h9-10,12,16H,3-8,11H2,1-2H3.
What are the key properties of 1-(chloromethyl)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine?
1-(chloromethyl)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 103015202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).