4-N-(1-methylcyclohexyl)oxane-3,4-diamine

C12H24N2O — CID 71741912

IUPAC4-N-(1-methylcyclohexyl)oxane-3,4-diamine
SMILESCC1(NC2CCOCC2N)CCCCC1
InChIInChI=1S/C12H24N2O/c1-12(6-3-2-4-7-12)14-11-5-8-15-9-10(11)13/h10-11,14H,2-9,13H2,1H3
InChIKeyUGIKJLOXFBHPJV-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.41
Rot. Bonds2

About 4-N-(1-methylcyclohexyl)oxane-3,4-diamine

4-N-(1-methylcyclohexyl)oxane-3,4-diamine (PubChem CID 71741912) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-N-(1-methylcyclohexyl)oxane-3,4-diamine.

Molecular Properties

Compound Name4-N-(1-methylcyclohexyl)oxane-3,4-diamine
PubChem CID71741912
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-N-(1-methylcyclohexyl)oxane-3,4-diamine
SMILESCC1(NC2CCOCC2N)CCCCC1
InChIInChI=1S/C12H24N2O/c1-12(6-3-2-4-7-12)14-11-5-8-15-9-10(11)13/h10-11,14H,2-9,13H2,1H3
InChIKeyUGIKJLOXFBHPJV-UHFFFAOYSA-N
XLogP1.41
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-4-methylcyclohexyl)oxan-3-amine
CID 169190947
N,N-dimethyl-4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]oxan-4-amine
CID 121523402
N,N-dimethyl-4-[[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]methyl]oxan-4-amine
CID 129381547
N,N-dimethyl-4-[[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]methyl]oxan-4-amine
CID 129381548
N,N-dimethyl-4-[[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]oxan-4-amine
CID 129381549
N,N-dimethyl-4-[[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]oxan-4-amine
CID 129381550
N-Methyl-1-(1-morpholin-4-ylcyclohexyl)methanamine
CID 45791007
(3S,4R)-4-N-(1-methylcyclopentyl)oxane-3,4-diamine
CID 58381294
(3S,4R)-4-N-(1-methylcyclohexyl)oxane-3,4-diamine
CID 58381295
(3S,4R)-4-N-cyclohexyloxane-3,4-diamine
CID 58381325
4-(aminomethyl)-N-propan-2-yloxan-4-amine
CID 62070142
N-(4-methylcyclohexyl)oxan-3-amine
CID 63359771

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methylcyclohexyl)oxane-3,4-diamine?
The IUPAC name of 4-N-(1-methylcyclohexyl)oxane-3,4-diamine (CID 71741912) is 4-N-(1-methylcyclohexyl)oxane-3,4-diamine.
What is the SMILES notation for 4-N-(1-methylcyclohexyl)oxane-3,4-diamine?
The canonical SMILES for 4-N-(1-methylcyclohexyl)oxane-3,4-diamine is CC1(NC2CCOCC2N)CCCCC1.
What is the InChIKey of 4-N-(1-methylcyclohexyl)oxane-3,4-diamine?
The InChIKey is UGIKJLOXFBHPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(6-3-2-4-7-12)14-11-5-8-15-9-10(11)13/h10-11,14H,2-9,13H2,1H3.
What are the key properties of 4-N-(1-methylcyclohexyl)oxane-3,4-diamine?
4-N-(1-methylcyclohexyl)oxane-3,4-diamine has a molecular weight of 212.34 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methylcyclohexyl)oxane-3,4-diamine is sourced from PubChem (CID 71741912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).