1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol

C12H27NO — CID 79389360

IUPAC1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol
SMILESCCCC(C)CN(CC)CC(C)(C)O
InChIInChI=1S/C12H27NO/c1-6-8-11(3)9-13(7-2)10-12(4,5)14/h11,14H,6-10H2,1-5H3
InChIKeyOYZHAWVEPMTECY-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.52
Rot. Bonds7

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

1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol (PubChem CID 79389360) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol
PubChem CID79389360
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol
SMILESCCCC(C)CN(CC)CC(C)(C)O
InChIInChI=1S/C12H27NO/c1-6-8-11(3)9-13(7-2)10-12(4,5)14/h11,14H,6-10H2,1-5H3
InChIKeyOYZHAWVEPMTECY-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,3-dimethylbutan-2-ol
CID 114448993
N-tert-butyl-N-ethyl-2-methylpentan-1-amine
CID 167094301
(2R)-N,N-diethyl-2-methylhexan-1-amine
CID 129390347
1-[(2-hydroxy-2-methylpropyl)-propylamino]-2-methylpropan-2-ol
CID 175894515
1-[ethyl-[2-(propan-2-ylamino)ethyl]amino]-2-methylpropan-2-ol
CID 79389739
2-ethyl-2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]butan-1-ol
CID 79379955
1-[dodecyl(ethyl)amino]-2-methylpropan-2-ol
CID 79390324
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropan-1-ol
CID 79377499
N'-(2-aminoethyl)-N'-(2-methylpentyl)ethane-1,2-diamine
CID 62923464
1-[2-aminoethyl(ethyl)amino]-2-methylpropan-2-ol
CID 79006123
N-butyl-N-ethyl-2,2-dimethylpropan-1-amine;N,N-diethyl-2,2-dimethylpropan-1-amine;N-(2,2-dimethylpropyl)-N-ethylhexan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-3-methylbutan-1-amine;N-(2,2-dimethylpropyl)-N-ethyl-2-methylpentan-1-amine;N-(2,2-dimethylpropyl)-N-ethylpentan-1-amine;N-ethyl-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;N-ethyl-2,2-dimethyl-N-propylpropan-1-amine
CID 158524506
1-[ethyl-[2-(2-methylpropoxy)ethyl]amino]-2-methylpropan-2-ol
CID 106456234

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol (CID 79389360) is 1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol is CCCC(C)CN(CC)CC(C)(C)O.
What is the InChIKey of 1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol?
The InChIKey is OYZHAWVEPMTECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-8-11(3)9-13(7-2)10-12(4,5)14/h11,14H,6-10H2,1-5H3.
What are the key properties of 1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol?
1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol has a molecular weight of 201.35 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2-methylpentyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 79389360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).