1-[ethyl-(4-methylcyclohexyl)amino]-2-methylpropan-2-ol

C13H27NO — CID 79389933

IUPAC1-[ethyl-(4-methylcyclohexyl)amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)C1CCC(C)CC1
InChIInChI=1S/C13H27NO/c1-5-14(10-13(3,4)15)12-8-6-11(2)7-9-12/h11-12,15H,5-10H2,1-4H3
InChIKeyVQMIDHSVAOMUMP-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.66
Rot. Bonds4

About 1-[ethyl-(4-methylcyclohexyl)amino]-2-methylpropan-2-ol

1-[ethyl-(4-methylcyclohexyl)amino]-2-methylpropan-2-ol (PubChem CID 79389933) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-[ethyl-(4-methylcyclohexyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl-(4-methylcyclohexyl)amino]-2-methylpropan-2-ol
PubChem CID79389933
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-[ethyl-(4-methylcyclohexyl)amino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)C1CCC(C)CC1
InChIInChI=1S/C13H27NO/c1-5-14(10-13(3,4)15)12-8-6-11(2)7-9-12/h11-12,15H,5-10H2,1-4H3
InChIKeyVQMIDHSVAOMUMP-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[ethyl(piperidin-4-yl)amino]-2-methylpropan-2-ol
CID 60883814
1-[cyclopropyl(ethyl)amino]-2-methylbutan-2-ol
CID 114495344
N-(2,2-dimethylpropyl)-N-ethylcyclopropanamine
CID 67816379
N,N-diethyl-4-methylcyclohexan-1-amine;ethane
CID 145372894
1-amino-3-[cyclopropyl(ethyl)amino]-2-methylpropan-2-ol
CID 64818871
1-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpropan-2-ol
CID 64520024
N,N-diethyl-4-methylcycloheptan-1-amine;hydrofluoride
CID 23299105
N'-cyclopropyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 62264209
3-[cyclopropyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64798308
3-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64798088
4-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 114762519
3-[cyclopentyl(ethyl)amino]-2-methyl-2-(methylamino)propan-1-ol
CID 64797688

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-(4-methylcyclohexyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl-(4-methylcyclohexyl)amino]-2-methylpropan-2-ol (CID 79389933) is 1-[ethyl-(4-methylcyclohexyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl-(4-methylcyclohexyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl-(4-methylcyclohexyl)amino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)C1CCC(C)CC1.
What is the InChIKey of 1-[ethyl-(4-methylcyclohexyl)amino]-2-methylpropan-2-ol?
The InChIKey is VQMIDHSVAOMUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-14(10-13(3,4)15)12-8-6-11(2)7-9-12/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 1-[ethyl-(4-methylcyclohexyl)amino]-2-methylpropan-2-ol?
1-[ethyl-(4-methylcyclohexyl)amino]-2-methylpropan-2-ol has a molecular weight of 213.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-(4-methylcyclohexyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 79389933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).