1-amino-4,6-dimethylheptan-2-ol

C9H21NO — CID 146604976

IUPAC1-amino-4,6-dimethylheptan-2-ol
SMILESCC(C)CC(C)CC(O)CN
InChIInChI=1S/C9H21NO/c1-7(2)4-8(3)5-9(11)6-10/h7-9,11H,4-6,10H2,1-3H3
InChIKeyFIQUMCOAJOEPNN-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.38
Rot. Bonds5

About 1-amino-4,6-dimethylheptan-2-ol

1-amino-4,6-dimethylheptan-2-ol (PubChem CID 146604976) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 1-amino-4,6-dimethylheptan-2-ol.

Molecular Properties

Compound Name1-amino-4,6-dimethylheptan-2-ol
PubChem CID146604976
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name1-amino-4,6-dimethylheptan-2-ol
SMILESCC(C)CC(C)CC(O)CN
InChIInChI=1S/C9H21NO/c1-7(2)4-8(3)5-9(11)6-10/h7-9,11H,4-6,10H2,1-3H3
InChIKeyFIQUMCOAJOEPNN-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

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(3S)-1-amino-5-methylhexan-3-ol;1-amino-4-methylpentan-2-ol;(2R)-1-amino-4-methylpentan-2-ol;(2S)-1-amino-4-methylpentan-2-ol;methane;2-methylheptan-4-ol;(4S)-2-methylheptan-4-ol
CID 159375210
2,4,6,8,10,12-hexamethyltridecan-7-ol
CID 170848745
propane;2,4,6-trimethylheptane
CID 165013878
acetylene;2,4,6-trimethylheptane
CID 144531255
3,5,7-trimethyloctan-1-amine
CID 89355702
potassium;1-aminopropan-2-ol;hydroxide
CID 175114009
(4R,6R)-2,8-dimethylnonane-4,6-diol
CID 15640449
1-amino-2,11-dimethyldodecane-3,5,7,9-tetrol
CID 137390115
5-amino-4-hydroxy-2-methylpentanoyl chloride
CID 175367935
(2S)-2-fluoro-4-methylpentan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 1-amino-4,6-dimethylheptan-2-ol?
The IUPAC name of 1-amino-4,6-dimethylheptan-2-ol (CID 146604976) is 1-amino-4,6-dimethylheptan-2-ol.
What is the SMILES notation for 1-amino-4,6-dimethylheptan-2-ol?
The canonical SMILES for 1-amino-4,6-dimethylheptan-2-ol is CC(C)CC(C)CC(O)CN.
What is the InChIKey of 1-amino-4,6-dimethylheptan-2-ol?
The InChIKey is FIQUMCOAJOEPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-7(2)4-8(3)5-9(11)6-10/h7-9,11H,4-6,10H2,1-3H3.
What are the key properties of 1-amino-4,6-dimethylheptan-2-ol?
1-amino-4,6-dimethylheptan-2-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 1-amino-4,6-dimethylheptan-2-ol is sourced from PubChem (CID 146604976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).