2-[(cyclohexylamino)methyl]-N-methyloxan-4-amine

C13H26N2O — CID 167001317

IUPAC2-[(cyclohexylamino)methyl]-N-methyloxan-4-amine
SMILESCNC1CCOC(CNC2CCCCC2)C1
InChIInChI=1S/C13H26N2O/c1-14-12-7-8-16-13(9-12)10-15-11-5-3-2-4-6-11/h11-15H,2-10H2,1H3
InChIKeyBEWNJJADQDHWPJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.68
Rot. Bonds4

About 2-[(cyclohexylamino)methyl]-N-methyloxan-4-amine

2-[(cyclohexylamino)methyl]-N-methyloxan-4-amine (PubChem CID 167001317) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[(cyclohexylamino)methyl]-N-methyloxan-4-amine.

Molecular Properties

Compound Name2-[(cyclohexylamino)methyl]-N-methyloxan-4-amine
PubChem CID167001317
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[(cyclohexylamino)methyl]-N-methyloxan-4-amine
SMILESCNC1CCOC(CNC2CCCCC2)C1
InChIInChI=1S/C13H26N2O/c1-14-12-7-8-16-13(9-12)10-15-11-5-3-2-4-6-11/h11-15H,2-10H2,1H3
InChIKeyBEWNJJADQDHWPJ-UHFFFAOYSA-N
XLogP1.68
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclohexylamino)methyl]-N-methyloxan-4-amine?
The IUPAC name of 2-[(cyclohexylamino)methyl]-N-methyloxan-4-amine (CID 167001317) is 2-[(cyclohexylamino)methyl]-N-methyloxan-4-amine.
What is the SMILES notation for 2-[(cyclohexylamino)methyl]-N-methyloxan-4-amine?
The canonical SMILES for 2-[(cyclohexylamino)methyl]-N-methyloxan-4-amine is CNC1CCOC(CNC2CCCCC2)C1.
What is the InChIKey of 2-[(cyclohexylamino)methyl]-N-methyloxan-4-amine?
The InChIKey is BEWNJJADQDHWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-14-12-7-8-16-13(9-12)10-15-11-5-3-2-4-6-11/h11-15H,2-10H2,1H3.
What are the key properties of 2-[(cyclohexylamino)methyl]-N-methyloxan-4-amine?
2-[(cyclohexylamino)methyl]-N-methyloxan-4-amine has a molecular weight of 226.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclohexylamino)methyl]-N-methyloxan-4-amine is sourced from PubChem (CID 167001317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).