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

C12H22ClNO — CID 65024606

IUPAC1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESClCC1(NCC2CCCO2)CCCCC1
InChIInChI=1S/C12H22ClNO/c13-10-12(6-2-1-3-7-12)14-9-11-5-4-8-15-11/h11,14H,1-10H2
InChIKeyVQVSDRRBSVZWJQ-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.70
Rot. Bonds4

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

1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 65024606) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
PubChem CID65024606
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESClCC1(NCC2CCCO2)CCCCC1
InChIInChI=1S/C12H22ClNO/c13-10-12(6-2-1-3-7-12)14-9-11-5-4-8-15-11/h11,14H,1-10H2
InChIKeyVQVSDRRBSVZWJQ-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61870977
4-chloro-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 65024246
1-(chloromethyl)-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
CID 65024496
1-(chloromethyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 65024770
N-[1-(chloromethyl)cyclohexyl]oxolan-3-amine
CID 65024772
1-chloro-2-methyl-N-(oxolan-2-ylmethyl)butan-2-amine
CID 65024886
1-(chloromethyl)-N-(2-ethoxyethyl)cyclohexan-1-amine
CID 65024986
1-(chloromethyl)-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
CID 65025151
N-(2-butoxyethyl)-1-(chloromethyl)cyclohexan-1-amine
CID 65025204
1-(2-chlorocyclohexyl)-N-(oxolan-2-ylmethyl)methanamine
CID 65025274
1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 65025764
1-chloro-4-methyl-N-(oxolan-2-ylmethyl)pentan-2-amine
CID 65025830

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (CID 65024606) is 1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is ClCC1(NCC2CCCO2)CCCCC1.
What is the InChIKey of 1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is VQVSDRRBSVZWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c13-10-12(6-2-1-3-7-12)14-9-11-5-4-8-15-11/h11,14H,1-10H2.
What are the key properties of 1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 231.77 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 65024606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).