5-amino-3,4,4-trimethylpentan-2-ol

C8H19NO — CID 130514641

IUPAC5-amino-3,4,4-trimethylpentan-2-ol
SMILESCC(O)C(C)C(C)(C)CN
InChIInChI=1S/C8H19NO/c1-6(7(2)10)8(3,4)5-9/h6-7,10H,5,9H2,1-4H3
InChIKeyDOYMYXONAOENMB-UHFFFAOYSA-N
MW145.25 g/mol
LogP0.99
Rot. Bonds3

About 5-amino-3,4,4-trimethylpentan-2-ol

5-amino-3,4,4-trimethylpentan-2-ol (PubChem CID 130514641) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 5-amino-3,4,4-trimethylpentan-2-ol.

Molecular Properties

Compound Name5-amino-3,4,4-trimethylpentan-2-ol
PubChem CID130514641
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name5-amino-3,4,4-trimethylpentan-2-ol
SMILESCC(O)C(C)C(C)(C)CN
InChIInChI=1S/C8H19NO/c1-6(7(2)10)8(3,4)5-9/h6-7,10H,5,9H2,1-4H3
InChIKeyDOYMYXONAOENMB-UHFFFAOYSA-N
XLogP0.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethylpentane-2,4-diol
CID 12896299
2,2-dimethylbutane-1,3-diamine
CID 22255870
(2R,3S)-3,4,4-trimethylpentan-2-ol
CID 58403064
2,2,4,4-tetramethylpentane-1,3,5-triamine
CID 88802410
4-amino-3,3-dimethyl-2-sulfanylbutanoic acid
CID 154153268
3,3-dichloro-2,2-dimethylpropan-1-amine
CID 175054384
1-(1-amino-2-methylpropan-2-yl)oxyethanol
CID 87187146
1-amino-2,2,5-trimethyl-5-methylsulfanylhexan-3-ol
CID 165443341
2-(4-amino-3,3-dimethylbutan-2-yl)oxy-2-methylpropan-1-ol
CID 170288800
3,3,4-triaminobutan-2-ol
CID 87234105
(2R)-1-amino-2,3-dimethylbutan-2-ol
CID 51684116
(2R,3S,4R,5S)-3-(aminomethyl)hexane-2,3,4,5-tetrol
CID 122574555

Frequently Asked Questions

What is the IUPAC name of 5-amino-3,4,4-trimethylpentan-2-ol?
The IUPAC name of 5-amino-3,4,4-trimethylpentan-2-ol (CID 130514641) is 5-amino-3,4,4-trimethylpentan-2-ol.
What is the SMILES notation for 5-amino-3,4,4-trimethylpentan-2-ol?
The canonical SMILES for 5-amino-3,4,4-trimethylpentan-2-ol is CC(O)C(C)C(C)(C)CN.
What is the InChIKey of 5-amino-3,4,4-trimethylpentan-2-ol?
The InChIKey is DOYMYXONAOENMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-6(7(2)10)8(3,4)5-9/h6-7,10H,5,9H2,1-4H3.
What are the key properties of 5-amino-3,4,4-trimethylpentan-2-ol?
5-amino-3,4,4-trimethylpentan-2-ol has a molecular weight of 145.25 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3,4,4-trimethylpentan-2-ol is sourced from PubChem (CID 130514641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).