1-(chloromethyl)-3-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine

C18H23ClN2 — CID 65030473

IUPAC1-(chloromethyl)-3-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine
SMILESCC1CCCC(CCl)(NCc2ccc3ncccc3c2)C1
InChIInChI=1S/C18H23ClN2/c1-14-4-2-8-18(11-14,13-19)21-12-15-6-7-17-16(10-15)5-3-9-20-17/h3,5-7,9-10,14,21H,2,4,8,11-13H2,1H3
InChIKeyLEJQGLBWIOGJHU-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.51
Rot. Bonds4

About 1-(chloromethyl)-3-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine

1-(chloromethyl)-3-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine (PubChem CID 65030473) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 1-(chloromethyl)-3-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-3-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine
PubChem CID65030473
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name1-(chloromethyl)-3-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine
SMILESCC1CCCC(CCl)(NCc2ccc3ncccc3c2)C1
InChIInChI=1S/C18H23ClN2/c1-14-4-2-8-18(11-14,13-19)21-12-15-6-7-17-16(10-15)5-3-9-20-17/h3,5-7,9-10,14,21H,2,4,8,11-13H2,1H3
InChIKeyLEJQGLBWIOGJHU-UHFFFAOYSA-N
XLogP4.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.51
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-(quinolin-6-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-3-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine (CID 65030473) is 1-(chloromethyl)-3-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-3-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-3-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine is CC1CCCC(CCl)(NCc2ccc3ncccc3c2)C1.
What is the InChIKey of 1-(chloromethyl)-3-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine?
The InChIKey is LEJQGLBWIOGJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-14-4-2-8-18(11-14,13-19)21-12-15-6-7-17-16(10-15)5-3-9-20-17/h3,5-7,9-10,14,21H,2,4,8,11-13H2,1H3.
What are the key properties of 1-(chloromethyl)-3-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine?
1-(chloromethyl)-3-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine has a molecular weight of 302.85 g/mol, XLogP of 4.51, 4 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-(quinolin-6-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 65030473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).