1-(chloromethyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine

C13H24ClNO — CID 65024770

IUPAC1-(chloromethyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine
SMILESClCC1(NCC2CCCCO2)CCCCC1
InChIInChI=1S/C13H24ClNO/c14-11-13(7-3-1-4-8-13)15-10-12-6-2-5-9-16-12/h12,15H,1-11H2
InChIKeyZGKBBHYBDZACNW-UHFFFAOYSA-N
MW245.79 g/mol
LogP3.09
Rot. Bonds4

About 1-(chloromethyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine

1-(chloromethyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 65024770) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is 1-(chloromethyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine
PubChem CID65024770
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC Name1-(chloromethyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine
SMILESClCC1(NCC2CCCCO2)CCCCC1
InChIInChI=1S/C13H24ClNO/c14-11-13(7-3-1-4-8-13)15-10-12-6-2-5-9-16-12/h12,15H,1-11H2
InChIKeyZGKBBHYBDZACNW-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 53.09
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)-N-(oxan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine (CID 65024770) is 1-(chloromethyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine is ClCC1(NCC2CCCCO2)CCCCC1.
What is the InChIKey of 1-(chloromethyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is ZGKBBHYBDZACNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c14-11-13(7-3-1-4-8-13)15-10-12-6-2-5-9-16-12/h12,15H,1-11H2.
What are the key properties of 1-(chloromethyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine?
1-(chloromethyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 245.79 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 65024770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).