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

C13H25NO — CID 22180617

IUPAC1-cyclohexyl-N-(oxan-2-ylmethyl)methanamine
SMILESC1CCC(CNCC2CCCCO2)CC1
InChIInChI=1S/C13H25NO/c1-2-6-12(7-3-1)10-14-11-13-8-4-5-9-15-13/h12-14H,1-11H2
InChIKeyWLXDQYODYDBNJZ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.73
Rot. Bonds4

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

1-cyclohexyl-N-(oxan-2-ylmethyl)methanamine (PubChem CID 22180617) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-cyclohexyl-N-(oxan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-(oxan-2-ylmethyl)methanamine
PubChem CID22180617
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-cyclohexyl-N-(oxan-2-ylmethyl)methanamine
SMILESC1CCC(CNCC2CCCCO2)CC1
InChIInChI=1S/C13H25NO/c1-2-6-12(7-3-1)10-14-11-13-8-4-5-9-15-13/h12-14H,1-11H2
InChIKeyWLXDQYODYDBNJZ-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(oxan-2-ylmethyl)methanamine?
The IUPAC name of 1-cyclohexyl-N-(oxan-2-ylmethyl)methanamine (CID 22180617) is 1-cyclohexyl-N-(oxan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclohexyl-N-(oxan-2-ylmethyl)methanamine?
The canonical SMILES for 1-cyclohexyl-N-(oxan-2-ylmethyl)methanamine is C1CCC(CNCC2CCCCO2)CC1.
What is the InChIKey of 1-cyclohexyl-N-(oxan-2-ylmethyl)methanamine?
The InChIKey is WLXDQYODYDBNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-6-12(7-3-1)10-14-11-13-8-4-5-9-15-13/h12-14H,1-11H2.
What are the key properties of 1-cyclohexyl-N-(oxan-2-ylmethyl)methanamine?
1-cyclohexyl-N-(oxan-2-ylmethyl)methanamine has a molecular weight of 211.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(oxan-2-ylmethyl)methanamine is sourced from PubChem (CID 22180617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).