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

C13H24ClNO — CID 65024568

IUPAC1-(2-chlorocyclohexyl)-N-(oxan-2-ylmethyl)methanamine
SMILESClC1CCCCC1CNCC1CCCCO1
InChIInChI=1S/C13H24ClNO/c14-13-7-2-1-5-11(13)9-15-10-12-6-3-4-8-16-12/h11-13,15H,1-10H2
InChIKeyAOSKWUJVDJMGNG-UHFFFAOYSA-N
MW245.79 g/mol
LogP2.94
Rot. Bonds4

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

1-(2-chlorocyclohexyl)-N-(oxan-2-ylmethyl)methanamine (PubChem CID 65024568) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is 1-(2-chlorocyclohexyl)-N-(oxan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-chlorocyclohexyl)-N-(oxan-2-ylmethyl)methanamine
PubChem CID65024568
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC Name1-(2-chlorocyclohexyl)-N-(oxan-2-ylmethyl)methanamine
SMILESClC1CCCCC1CNCC1CCCCO1
InChIInChI=1S/C13H24ClNO/c14-13-7-2-1-5-11(13)9-15-10-12-6-3-4-8-16-12/h11-13,15H,1-10H2
InChIKeyAOSKWUJVDJMGNG-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
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-(2-methylcyclohexyl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 126611621
1-(2-chlorocyclopentyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine
CID 79182406
N-[(2-chlorocyclopentyl)methyl]-2-(oxolan-2-yl)acetamide
CID 114303017
N-(oxiran-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 126662658
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)methanamine
CID 61038711
N-[(5-methyloxolan-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 82835456
N-(oxan-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 63006474
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine
CID 129432103
2-[3-(2-chlorocyclopentyl)propyl]oxolane
CID 65166471
3,3,3-trifluoro-N-(oxan-2-ylmethyl)propan-1-amine
CID 63226004

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorocyclohexyl)-N-(oxan-2-ylmethyl)methanamine?
The IUPAC name of 1-(2-chlorocyclohexyl)-N-(oxan-2-ylmethyl)methanamine (CID 65024568) is 1-(2-chlorocyclohexyl)-N-(oxan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-chlorocyclohexyl)-N-(oxan-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2-chlorocyclohexyl)-N-(oxan-2-ylmethyl)methanamine is ClC1CCCCC1CNCC1CCCCO1.
What is the InChIKey of 1-(2-chlorocyclohexyl)-N-(oxan-2-ylmethyl)methanamine?
The InChIKey is AOSKWUJVDJMGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c14-13-7-2-1-5-11(13)9-15-10-12-6-3-4-8-16-12/h11-13,15H,1-10H2.
What are the key properties of 1-(2-chlorocyclohexyl)-N-(oxan-2-ylmethyl)methanamine?
1-(2-chlorocyclohexyl)-N-(oxan-2-ylmethyl)methanamine has a molecular weight of 245.79 g/mol, XLogP of 2.94, 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-(oxan-2-ylmethyl)methanamine is sourced from PubChem (CID 65024568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).