2-chloro-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

C12H22ClNO — CID 102637388

IUPAC2-chloro-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCN(CC1CCCO1)C1CCCCC1Cl
InChIInChI=1S/C12H22ClNO/c1-14(9-10-5-4-8-15-10)12-7-3-2-6-11(12)13/h10-12H,2-9H2,1H3
InChIKeyJTISGFUBSYTSMS-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.65
Rot. Bonds3

About 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

2-chloro-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 102637388) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
PubChem CID102637388
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name2-chloro-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCN(CC1CCCO1)C1CCCCC1Cl
InChIInChI=1S/C12H22ClNO/c1-14(9-10-5-4-8-15-10)12-7-3-2-6-11(12)13/h10-12H,2-9H2,1H3
InChIKeyJTISGFUBSYTSMS-UHFFFAOYSA-N
XLogP2.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.65
H-Bond Donors ≤ 50
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 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (CID 102637388) is 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is CN(CC1CCCO1)C1CCCCC1Cl.
What is the InChIKey of 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is JTISGFUBSYTSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c1-14(9-10-5-4-8-15-10)12-7-3-2-6-11(12)13/h10-12H,2-9H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 231.77 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 102637388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).