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

C16H31ClN2 — CID 107913724

IUPAC1-(chloromethyl)-3-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCCC(CCl)(NCCC2CCCCN2C)C1
InChIInChI=1S/C16H31ClN2/c1-14-6-5-9-16(12-14,13-17)18-10-8-15-7-3-4-11-19(15)2/h14-15,18H,3-13H2,1-2H3
InChIKeyKTALZALPTICZJI-UHFFFAOYSA-N
MW286.89 g/mol
LogP3.64
Rot. Bonds5

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

1-(chloromethyl)-3-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine (PubChem CID 107913724) has the molecular formula C16H31ClN2 and a molecular weight of 286.89 g/mol. Its IUPAC name is 1-(chloromethyl)-3-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-3-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine
PubChem CID107913724
Molecular FormulaC16H31ClN2
Molecular Weight286.89 g/mol
Exact Mass286.22
IUPAC Name1-(chloromethyl)-3-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCCC(CCl)(NCCC2CCCCN2C)C1
InChIInChI=1S/C16H31ClN2/c1-14-6-5-9-16(12-14,13-17)18-10-8-15-7-3-4-11-19(15)2/h14-15,18H,3-13H2,1-2H3
InChIKeyKTALZALPTICZJI-UHFFFAOYSA-N
XLogP3.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.89
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-3-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine (CID 107913724) is 1-(chloromethyl)-3-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-3-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-3-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine is CC1CCCC(CCl)(NCCC2CCCCN2C)C1.
What is the InChIKey of 1-(chloromethyl)-3-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine?
The InChIKey is KTALZALPTICZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31ClN2/c1-14-6-5-9-16(12-14,13-17)18-10-8-15-7-3-4-11-19(15)2/h14-15,18H,3-13H2,1-2H3.
What are the key properties of 1-(chloromethyl)-3-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine?
1-(chloromethyl)-3-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine has a molecular weight of 286.89 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 107913724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).