3-amino-2-ethyl-5-methylhexan-1-ol

C9H21NO — CID 116945255

IUPAC3-amino-2-ethyl-5-methylhexan-1-ol
SMILESCCC(CO)C(N)CC(C)C
InChIInChI=1S/C9H21NO/c1-4-8(6-11)9(10)5-7(2)3/h7-9,11H,4-6,10H2,1-3H3
InChIKeyJBLDQIQFSBVNIH-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.38
Rot. Bonds5

About 3-amino-2-ethyl-5-methylhexan-1-ol

3-amino-2-ethyl-5-methylhexan-1-ol (PubChem CID 116945255) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 3-amino-2-ethyl-5-methylhexan-1-ol.

Molecular Properties

Compound Name3-amino-2-ethyl-5-methylhexan-1-ol
PubChem CID116945255
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name3-amino-2-ethyl-5-methylhexan-1-ol
SMILESCCC(CO)C(N)CC(C)C
InChIInChI=1S/C9H21NO/c1-4-8(6-11)9(10)5-7(2)3/h7-9,11H,4-6,10H2,1-3H3
InChIKeyJBLDQIQFSBVNIH-UHFFFAOYSA-N
XLogP1.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-3-amino-2-ethylhexan-1-ol
CID 11126400
3-amino-5-methylhexane-1,2-diol
CID 85255378
(4S)-2,5-dimethylheptan-4-amine
CID 145304890
(2R)-2-amino-3-ethylpentan-1-ol;hydrochloride
CID 176655743
4-amino-3-(2-methylpropyl)hexan-1-ol
CID 66089146
(4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol
CID 10512329
3-amino-4-ethylhexan-1-ol
CID 17039430
(2R,3S,4S)-4-amino-2,6-dimethylheptane-1,3-diol
CID 137347836
(2S,3S)-2-ethylbutane-1,3-diol
CID 87152899
(1R,2R)-1,2-diamino-4-methylpentan-1-ol
CID 141008586
(2R,3R)-2-ethylbutane-1,3-diol
CID 130733536
5-amino-2-methylheptan-4-ol
CID 21419745

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-ethyl-5-methylhexan-1-ol?
The IUPAC name of 3-amino-2-ethyl-5-methylhexan-1-ol (CID 116945255) is 3-amino-2-ethyl-5-methylhexan-1-ol.
What is the SMILES notation for 3-amino-2-ethyl-5-methylhexan-1-ol?
The canonical SMILES for 3-amino-2-ethyl-5-methylhexan-1-ol is CCC(CO)C(N)CC(C)C.
What is the InChIKey of 3-amino-2-ethyl-5-methylhexan-1-ol?
The InChIKey is JBLDQIQFSBVNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-8(6-11)9(10)5-7(2)3/h7-9,11H,4-6,10H2,1-3H3.
What are the key properties of 3-amino-2-ethyl-5-methylhexan-1-ol?
3-amino-2-ethyl-5-methylhexan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-ethyl-5-methylhexan-1-ol is sourced from PubChem (CID 116945255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).