3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(ethylamino)-2-methylpropan-1-ol

C13H30N2O — CID 64826895

IUPAC3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(ethylamino)-2-methylpropan-1-ol
SMILESCCNC(C)(CO)CN(C)C(C)C(C)(C)C
InChIInChI=1S/C13H30N2O/c1-8-14-13(6,10-16)9-15(7)11(2)12(3,4)5/h11,14,16H,8-10H2,1-7H3
InChIKeyQYLLQKZVTGNWRC-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.71
Rot. Bonds6

About 3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(ethylamino)-2-methylpropan-1-ol

3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(ethylamino)-2-methylpropan-1-ol (PubChem CID 64826895) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(ethylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(ethylamino)-2-methylpropan-1-ol
PubChem CID64826895
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(ethylamino)-2-methylpropan-1-ol
SMILESCCNC(C)(CO)CN(C)C(C)C(C)(C)C
InChIInChI=1S/C13H30N2O/c1-8-14-13(6,10-16)9-15(7)11(2)12(3,4)5/h11,14,16H,8-10H2,1-7H3
InChIKeyQYLLQKZVTGNWRC-UHFFFAOYSA-N
XLogP1.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64827091
2-(ethylamino)-4-[ethyl(methyl)amino]-2-methylpentan-1-ol
CID 64797008
2-(ethylamino)-2-methyl-3-[methyl(3-methylbutyl)amino]propan-1-ol
CID 64826613
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-2-ethylbutan-1-ol
CID 62272431
2-methyl-3-[methyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol
CID 64798662
3-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylpropan-1-ol
CID 64827631
2-(cyclopropylamino)-2-methyl-3-[methyl(pentan-3-yl)amino]propan-1-ol
CID 64796626
2-(ethylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 64827009
3-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpropan-1-ol
CID 64786271
N-(3,3-dimethylbutan-2-yl)-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55197122
2-(ethylamino)-4-[ethyl(propan-2-yl)amino]-2-methylbutan-1-ol
CID 64797860
1-N-(3,3-dimethylbutan-2-yl)-1-N,2-dimethylbutane-1,2-diamine
CID 79812068

Frequently Asked Questions

What is the IUPAC name of 3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(ethylamino)-2-methylpropan-1-ol?
The IUPAC name of 3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(ethylamino)-2-methylpropan-1-ol (CID 64826895) is 3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(ethylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(ethylamino)-2-methylpropan-1-ol?
The canonical SMILES for 3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(ethylamino)-2-methylpropan-1-ol is CCNC(C)(CO)CN(C)C(C)C(C)(C)C.
What is the InChIKey of 3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(ethylamino)-2-methylpropan-1-ol?
The InChIKey is QYLLQKZVTGNWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-8-14-13(6,10-16)9-15(7)11(2)12(3,4)5/h11,14,16H,8-10H2,1-7H3.
What are the key properties of 3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(ethylamino)-2-methylpropan-1-ol?
3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(ethylamino)-2-methylpropan-1-ol has a molecular weight of 230.40 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(ethylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 64826895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).