1-(tert-butylamino)-3-[(4-ethylcyclohexyl)-methylamino]propan-2-ol

C16H34N2O — CID 115475082

IUPAC1-(tert-butylamino)-3-[(4-ethylcyclohexyl)-methylamino]propan-2-ol
SMILESCCC1CCC(N(C)CC(O)CNC(C)(C)C)CC1
InChIInChI=1S/C16H34N2O/c1-6-13-7-9-14(10-8-13)18(5)12-15(19)11-17-16(2,3)4/h13-15,17,19H,6-12H2,1-5H3
InChIKeyGUGYVSUOTQAELZ-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.64
Rot. Bonds6

About 1-(tert-butylamino)-3-[(4-ethylcyclohexyl)-methylamino]propan-2-ol

1-(tert-butylamino)-3-[(4-ethylcyclohexyl)-methylamino]propan-2-ol (PubChem CID 115475082) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[(4-ethylcyclohexyl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[(4-ethylcyclohexyl)-methylamino]propan-2-ol
PubChem CID115475082
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-(tert-butylamino)-3-[(4-ethylcyclohexyl)-methylamino]propan-2-ol
SMILESCCC1CCC(N(C)CC(O)CNC(C)(C)C)CC1
InChIInChI=1S/C16H34N2O/c1-6-13-7-9-14(10-8-13)18(5)12-15(19)11-17-16(2,3)4/h13-15,17,19H,6-12H2,1-5H3
InChIKeyGUGYVSUOTQAELZ-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tert-butylamino)-3-[methyl(oxan-4-yl)amino]propan-2-ol
CID 115474949
1-N-tert-butyl-2-N-(4-ethylcyclohexyl)-2-N-methylbutane-1,2-diamine
CID 63490991
1-(tert-butylamino)-3-[cyclopropylmethyl(propyl)amino]propan-2-ol
CID 115475061
4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 155402155
(2R)-1-(tert-butylamino)butan-2-ol
CID 93383134
1-[methyl-(4-methylcyclohexyl)amino]-3-(propylamino)propan-2-ol
CID 61437207
3-[[3-(tert-butylamino)-2-hydroxypropyl]-cyclopropylamino]propanenitrile
CID 115475121
1-(tert-butylamino)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol
CID 115475087
1-[cyclooctyl(methyl)amino]butan-2-ol
CID 130316324
3-[(4-ethylcyclohexyl)-methylamino]-2-(propylamino)propan-1-ol
CID 64825628
1-(4-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanol
CID 62265226
1-(tert-butylamino)-3-(cyclopentylmethylsulfonyl)propan-2-ol
CID 115476793

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[(4-ethylcyclohexyl)-methylamino]propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-[(4-ethylcyclohexyl)-methylamino]propan-2-ol (CID 115475082) is 1-(tert-butylamino)-3-[(4-ethylcyclohexyl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-[(4-ethylcyclohexyl)-methylamino]propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-[(4-ethylcyclohexyl)-methylamino]propan-2-ol is CCC1CCC(N(C)CC(O)CNC(C)(C)C)CC1.
What is the InChIKey of 1-(tert-butylamino)-3-[(4-ethylcyclohexyl)-methylamino]propan-2-ol?
The InChIKey is GUGYVSUOTQAELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-13-7-9-14(10-8-13)18(5)12-15(19)11-17-16(2,3)4/h13-15,17,19H,6-12H2,1-5H3.
What are the key properties of 1-(tert-butylamino)-3-[(4-ethylcyclohexyl)-methylamino]propan-2-ol?
1-(tert-butylamino)-3-[(4-ethylcyclohexyl)-methylamino]propan-2-ol has a molecular weight of 270.46 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-[(4-ethylcyclohexyl)-methylamino]propan-2-ol is sourced from PubChem (CID 115475082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).