1-amino-2,3,4-trimethylhexan-3-ol

C9H21NO — CID 79135211

IUPAC1-amino-2,3,4-trimethylhexan-3-ol
SMILESCCC(C)C(C)(O)C(C)CN
InChIInChI=1S/C9H21NO/c1-5-7(2)9(4,11)8(3)6-10/h7-8,11H,5-6,10H2,1-4H3
InChIKeyYRMKJUUPOVIPLK-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.38
Rot. Bonds4

About 1-amino-2,3,4-trimethylhexan-3-ol

1-amino-2,3,4-trimethylhexan-3-ol (PubChem CID 79135211) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 1-amino-2,3,4-trimethylhexan-3-ol.

Molecular Properties

Compound Name1-amino-2,3,4-trimethylhexan-3-ol
PubChem CID79135211
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name1-amino-2,3,4-trimethylhexan-3-ol
SMILESCCC(C)C(C)(O)C(C)CN
InChIInChI=1S/C9H21NO/c1-5-7(2)9(4,11)8(3)6-10/h7-8,11H,5-6,10H2,1-4H3
InChIKeyYRMKJUUPOVIPLK-UHFFFAOYSA-N
XLogP1.38
TPSA46.25 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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Amino-3-ethylpentan-3-ol
CID 22273067
4-Amino-2-cyclopropylbutan-2-ol
CID 68802140
1-Amino-2,2,3-trimethylpentan-3-OL
CID 79128382
1-Amino-3-ethyl-2,2-dimethylpentan-3-ol
CID 79128023
1-Amino-2,5-dimethylhexan-2-ol
CID 43436655
3-(Aminomethyl)-2,3-dimethylpentan-2-ol
CID 79128689
3-Amino-1-(propan-2-yl)cyclobutan-1-ol hydrochloride
CID 145867056
1-Amino-2,3-dimethylpentan-2-ol hydrochloride
CID 165666109
1-Amino-2,3-dimethylpentan-2-ol
CID 54592931
(5S)-1-amino-5-fluoro-2,3,4-trimethylhexan-2-ol
CID 155057078
3-(2-Aminoethyl)-2,2,4,4-tetramethylpentan-3-ol
CID 123192207
3-Ethyl-2-methyl-1-(methylamino)-3-pentanol
CID 129785991

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,3,4-trimethylhexan-3-ol?
The IUPAC name of 1-amino-2,3,4-trimethylhexan-3-ol (CID 79135211) is 1-amino-2,3,4-trimethylhexan-3-ol.
What is the SMILES notation for 1-amino-2,3,4-trimethylhexan-3-ol?
The canonical SMILES for 1-amino-2,3,4-trimethylhexan-3-ol is CCC(C)C(C)(O)C(C)CN.
What is the InChIKey of 1-amino-2,3,4-trimethylhexan-3-ol?
The InChIKey is YRMKJUUPOVIPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-7(2)9(4,11)8(3)6-10/h7-8,11H,5-6,10H2,1-4H3.
What are the key properties of 1-amino-2,3,4-trimethylhexan-3-ol?
1-amino-2,3,4-trimethylhexan-3-ol has a molecular weight of 159.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,3,4-trimethylhexan-3-ol is sourced from PubChem (CID 79135211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).