4-[[(2-amino-5,5-dimethylcyclohexyl)methyl-methylamino]methyl]oxan-4-ol

C16H32N2O2 — CID 114953600

IUPAC4-[[(2-amino-5,5-dimethylcyclohexyl)methyl-methylamino]methyl]oxan-4-ol
SMILESCN(CC1CC(C)(C)CCC1N)CC1(O)CCOCC1
InChIInChI=1S/C16H32N2O2/c1-15(2)5-4-14(17)13(10-15)11-18(3)12-16(19)6-8-20-9-7-16/h13-14,19H,4-12,17H2,1-3H3
InChIKeySREIVKWMHSFFTD-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.61
Rot. Bonds4

About 4-[[(2-amino-5,5-dimethylcyclohexyl)methyl-methylamino]methyl]oxan-4-ol

4-[[(2-amino-5,5-dimethylcyclohexyl)methyl-methylamino]methyl]oxan-4-ol (PubChem CID 114953600) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 4-[[(2-amino-5,5-dimethylcyclohexyl)methyl-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(2-amino-5,5-dimethylcyclohexyl)methyl-methylamino]methyl]oxan-4-ol
PubChem CID114953600
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name4-[[(2-amino-5,5-dimethylcyclohexyl)methyl-methylamino]methyl]oxan-4-ol
SMILESCN(CC1CC(C)(C)CCC1N)CC1(O)CCOCC1
InChIInChI=1S/C16H32N2O2/c1-15(2)5-4-14(17)13(10-15)11-18(3)12-16(19)6-8-20-9-7-16/h13-14,19H,4-12,17H2,1-3H3
InChIKeySREIVKWMHSFFTD-UHFFFAOYSA-N
XLogP1.61
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(2-amino-5,5-dimethylcyclohexyl)methyl-methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

4-[[(2-hydroxy-3,3-dimethylcyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114953741
1-[[[2-(ethylamino)-5,5-dimethylcyclohexyl]methyl-methylamino]methyl]cyclopentan-1-ol
CID 114953487
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114951907
4-[[methyl(2-methylsulfanylethyl)amino]methyl]oxan-4-ol
CID 115750815
4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol
CID 114953654
4-[[3-(cyclopropylamino)propyl-methylamino]methyl]oxan-4-ol
CID 114952488
4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-ol
CID 115749283
4-[[methyl(4-sulfanylbutyl)amino]methyl]oxan-4-ol
CID 114953922
4-[[4-bromobutyl(methyl)amino]methyl]oxan-4-ol
CID 114952449
4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxan-4-ol
CID 115746978
4-[[5-hydroxypentyl(methyl)amino]methyl]oxan-4-ol
CID 114951905

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-amino-5,5-dimethylcyclohexyl)methyl-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(2-amino-5,5-dimethylcyclohexyl)methyl-methylamino]methyl]oxan-4-ol (CID 114953600) is 4-[[(2-amino-5,5-dimethylcyclohexyl)methyl-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(2-amino-5,5-dimethylcyclohexyl)methyl-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(2-amino-5,5-dimethylcyclohexyl)methyl-methylamino]methyl]oxan-4-ol is CN(CC1CC(C)(C)CCC1N)CC1(O)CCOCC1.
What is the InChIKey of 4-[[(2-amino-5,5-dimethylcyclohexyl)methyl-methylamino]methyl]oxan-4-ol?
The InChIKey is SREIVKWMHSFFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-15(2)5-4-14(17)13(10-15)11-18(3)12-16(19)6-8-20-9-7-16/h13-14,19H,4-12,17H2,1-3H3.
What are the key properties of 4-[[(2-amino-5,5-dimethylcyclohexyl)methyl-methylamino]methyl]oxan-4-ol?
4-[[(2-amino-5,5-dimethylcyclohexyl)methyl-methylamino]methyl]oxan-4-ol has a molecular weight of 284.44 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-amino-5,5-dimethylcyclohexyl)methyl-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114953600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).