1-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1,3-diamine

C12H25N3O — CID 79458603

IUPAC1-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1,3-diamine
SMILESCN1CCOC(CNC2CCCC(N)C2)C1
InChIInChI=1S/C12H25N3O/c1-15-5-6-16-12(9-15)8-14-11-4-2-3-10(13)7-11/h10-12,14H,2-9,13H2,1H3
InChIKeyKTKKFBBAALVXQR-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.18
Rot. Bonds3

About 1-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1,3-diamine

1-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1,3-diamine (PubChem CID 79458603) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1,3-diamine
PubChem CID79458603
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1,3-diamine
SMILESCN1CCOC(CNC2CCCC(N)C2)C1
InChIInChI=1S/C12H25N3O/c1-15-5-6-16-12(9-15)8-14-11-4-2-3-10(13)7-11/h10-12,14H,2-9,13H2,1H3
InChIKeyKTKKFBBAALVXQR-UHFFFAOYSA-N
XLogP0.18
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1,3-diamine?
The IUPAC name of 1-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1,3-diamine (CID 79458603) is 1-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1,3-diamine is CN1CCOC(CNC2CCCC(N)C2)C1.
What is the InChIKey of 1-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1,3-diamine?
The InChIKey is KTKKFBBAALVXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-15-5-6-16-12(9-15)8-14-11-4-2-3-10(13)7-11/h10-12,14H,2-9,13H2,1H3.
What are the key properties of 1-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1,3-diamine?
1-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1,3-diamine has a molecular weight of 227.35 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 79458603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).