2-(ethylamino)-4,4-dimethylpentan-1-ol

C9H21NO — CID 62951167

IUPAC2-(ethylamino)-4,4-dimethylpentan-1-ol
SMILESCCNC(CO)CC(C)(C)C
InChIInChI=1S/C9H21NO/c1-5-10-8(7-11)6-9(2,3)4/h8,10-11H,5-7H2,1-4H3
InChIKeyNITIPVQSKDVZFE-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.39
Rot. Bonds4

About 2-(ethylamino)-4,4-dimethylpentan-1-ol

2-(ethylamino)-4,4-dimethylpentan-1-ol (PubChem CID 62951167) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-(ethylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-4,4-dimethylpentan-1-ol
PubChem CID62951167
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-(ethylamino)-4,4-dimethylpentan-1-ol
SMILESCCNC(CO)CC(C)(C)C
InChIInChI=1S/C9H21NO/c1-5-10-8(7-11)6-9(2,3)4/h8,10-11H,5-7H2,1-4H3
InChIKeyNITIPVQSKDVZFE-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-methyl-2-(methylamino)pentan-1-ol
CID 12695791
2-Amino-4,4-dimethylpentan-1-ol
CID 22102263
(4,4-Dimethylpyrrolidin-2-yl)methanol
CID 55299054
(S)-2-Isopropylamino-3-methyl-1-butanol
CID 13778611
(5,5-Dimethylpiperidin-2-yl)methanol
CID 131631928
4-Methyl-2-(methylamino)pentan-1-ol
CID 12695790
(2S)-3,3-dimethyl-2-(methylamino)butan-1-ol
CID 55298685
(2R)-4-methyl-2-(methylamino)pentan-1-ol
CID 59967423
[(2S)-4,4-dimethylpyrrolidin-2-yl]methanol hydrochloride
CID 71741606
3,3-Dimethyl-2-(methylamino)butan-1-ol
CID 23384871
(2R)-3,3-dimethyl-2-(methylamino)butan-1-ol hydrochloride
CID 170911264
t-Butylleucinol
CID 59118614

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 2-(ethylamino)-4,4-dimethylpentan-1-ol (CID 62951167) is 2-(ethylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 2-(ethylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 2-(ethylamino)-4,4-dimethylpentan-1-ol is CCNC(CO)CC(C)(C)C.
What is the InChIKey of 2-(ethylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is NITIPVQSKDVZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-10-8(7-11)6-9(2,3)4/h8,10-11H,5-7H2,1-4H3.
What are the key properties of 2-(ethylamino)-4,4-dimethylpentan-1-ol?
2-(ethylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 62951167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).