1-(2-chlorocyclohexyl)-N-(oxolan-2-ylmethyl)methanamine

C12H22ClNO — CID 65025274

IUPAC1-(2-chlorocyclohexyl)-N-(oxolan-2-ylmethyl)methanamine
SMILESClC1CCCCC1CNCC1CCCO1
InChIInChI=1S/C12H22ClNO/c13-12-6-2-1-4-10(12)8-14-9-11-5-3-7-15-11/h10-12,14H,1-9H2
InChIKeyUIFBEVOJJLYGIA-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.55
Rot. Bonds4

About 1-(2-chlorocyclohexyl)-N-(oxolan-2-ylmethyl)methanamine

1-(2-chlorocyclohexyl)-N-(oxolan-2-ylmethyl)methanamine (PubChem CID 65025274) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 1-(2-chlorocyclohexyl)-N-(oxolan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-chlorocyclohexyl)-N-(oxolan-2-ylmethyl)methanamine
PubChem CID65025274
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name1-(2-chlorocyclohexyl)-N-(oxolan-2-ylmethyl)methanamine
SMILESClC1CCCCC1CNCC1CCCO1
InChIInChI=1S/C12H22ClNO/c13-12-6-2-1-4-10(12)8-14-9-11-5-3-7-15-11/h10-12,14H,1-9H2
InChIKeyUIFBEVOJJLYGIA-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
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-(2-chlorocyclohexyl)-N-(oxolan-2-ylmethyl)methanamine?
The IUPAC name of 1-(2-chlorocyclohexyl)-N-(oxolan-2-ylmethyl)methanamine (CID 65025274) is 1-(2-chlorocyclohexyl)-N-(oxolan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-chlorocyclohexyl)-N-(oxolan-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2-chlorocyclohexyl)-N-(oxolan-2-ylmethyl)methanamine is ClC1CCCCC1CNCC1CCCO1.
What is the InChIKey of 1-(2-chlorocyclohexyl)-N-(oxolan-2-ylmethyl)methanamine?
The InChIKey is UIFBEVOJJLYGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c13-12-6-2-1-4-10(12)8-14-9-11-5-3-7-15-11/h10-12,14H,1-9H2.
What are the key properties of 1-(2-chlorocyclohexyl)-N-(oxolan-2-ylmethyl)methanamine?
1-(2-chlorocyclohexyl)-N-(oxolan-2-ylmethyl)methanamine has a molecular weight of 231.77 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorocyclohexyl)-N-(oxolan-2-ylmethyl)methanamine is sourced from PubChem (CID 65025274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).