1-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]-2-methylpropan-2-ol

C15H32N2O — CID 79379942

IUPAC1-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC1C(C)CC(C)CC1N)CC(C)(C)O
InChIInChI=1S/C15H32N2O/c1-6-17(10-15(4,5)18)9-13-12(3)7-11(2)8-14(13)16/h11-14,18H,6-10,16H2,1-5H3
InChIKeyCNENRSOMTTZMSP-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.09
Rot. Bonds5

About 1-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]-2-methylpropan-2-ol

1-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]-2-methylpropan-2-ol (PubChem CID 79379942) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]-2-methylpropan-2-ol
PubChem CID79379942
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC1C(C)CC(C)CC1N)CC(C)(C)O
InChIInChI=1S/C15H32N2O/c1-6-17(10-15(4,5)18)9-13-12(3)7-11(2)8-14(13)16/h11-14,18H,6-10,16H2,1-5H3
InChIKeyCNENRSOMTTZMSP-UHFFFAOYSA-N
XLogP2.09
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]ethanol
CID 64735435
2-[[butyl(ethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64735421
2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64735424
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64737229
N-[(2-amino-4,6-dimethylcyclohexyl)methyl]-N-ethylaniline
CID 64737201
2-[[cyclopropylmethyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736034
1-[ethyl(piperidin-4-ylmethyl)amino]-2-methylpropan-2-ol
CID 79716731
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64734672
2-[[3-methoxypropyl(methyl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736449
3,5-dimethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 64735863
2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-3,5-dimethylcyclohexan-1-amine
CID 82952445
1-[2-aminoethyl(ethyl)amino]-2-methylpropan-2-ol
CID 79006123

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]-2-methylpropan-2-ol (CID 79379942) is 1-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]-2-methylpropan-2-ol is CCN(CC1C(C)CC(C)CC1N)CC(C)(C)O.
What is the InChIKey of 1-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]-2-methylpropan-2-ol?
The InChIKey is CNENRSOMTTZMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-6-17(10-15(4,5)18)9-13-12(3)7-11(2)8-14(13)16/h11-14,18H,6-10,16H2,1-5H3.
What are the key properties of 1-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]-2-methylpropan-2-ol?
1-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]-2-methylpropan-2-ol has a molecular weight of 256.43 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4,6-dimethylcyclohexyl)methyl-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79379942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).