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

C11H20ClNO — CID 65024246

IUPAC4-chloro-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESClC1CCC(NCC2CCCO2)CC1
InChIInChI=1S/C11H20ClNO/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h9-11,13H,1-8H2
InChIKeyCBRHEJNSTOCACU-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.31
Rot. Bonds3

About 4-chloro-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

4-chloro-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 65024246) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 4-chloro-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-chloro-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
PubChem CID65024246
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name4-chloro-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESClC1CCC(NCC2CCCO2)CC1
InChIInChI=1S/C11H20ClNO/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h9-11,13H,1-8H2
InChIKeyCBRHEJNSTOCACU-UHFFFAOYSA-N
XLogP2.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.31
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 4-chloro-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-chloro-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (CID 65024246) is 4-chloro-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-chloro-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-chloro-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is ClC1CCC(NCC2CCCO2)CC1.
What is the InChIKey of 4-chloro-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is CBRHEJNSTOCACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h9-11,13H,1-8H2.
What are the key properties of 4-chloro-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
4-chloro-N-(oxolan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 217.74 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 65024246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).