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

C9H21NO — CID 88746496

IUPAC2-amino-6,6-dimethylheptan-1-ol
SMILESCC(C)(C)CCCC(N)CO
InChIInChI=1S/C9H21NO/c1-9(2,3)6-4-5-8(10)7-11/h8,11H,4-7,10H2,1-3H3
InChIKeyPLEYAXQFIMNMKY-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.52
Rot. Bonds4

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

2-amino-6,6-dimethylheptan-1-ol (PubChem CID 88746496) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-amino-6,6-dimethylheptan-1-ol.

Molecular Properties

Compound Name2-amino-6,6-dimethylheptan-1-ol
PubChem CID88746496
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-amino-6,6-dimethylheptan-1-ol
SMILESCC(C)(C)CCCC(N)CO
InChIInChI=1S/C9H21NO/c1-9(2,3)6-4-5-8(10)7-11/h8,11H,4-7,10H2,1-3H3
InChIKeyPLEYAXQFIMNMKY-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-5-methylhexane-1,5-diol
CID 163243365
2-(6,6-dimethylheptyl)-8,8-dimethylnonan-1-ol
CID 129034366
2-aminononadecan-1-ol
CID 87201322
(2S)-2-aminoundecan-1-ol
CID 98129192
2,7-diaminononan-1-ol
CID 141295191
2-amino-5,7,7-trimethyloctan-1-ol
CID 170891955
2-amino-5,9-dimethyldecane-1,9-diol;hydrochloride
CID 170893103
1-(3,5-dimethylphenyl)-6,6-dimethylheptan-2-amine
CID 114209940
5,5-dimethyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine
CID 114209968
(2S)-2,6-diaminohexan-1-ol;propane-1,2-diol
CID 172771084
(2R)-2-amino-5-(diethylamino)pentan-1-ol
CID 131859240
1-amino-4,4-dimethylpentan-1-ol
CID 88636806

Frequently Asked Questions

What is the IUPAC name of 2-amino-6,6-dimethylheptan-1-ol?
The IUPAC name of 2-amino-6,6-dimethylheptan-1-ol (CID 88746496) is 2-amino-6,6-dimethylheptan-1-ol.
What is the SMILES notation for 2-amino-6,6-dimethylheptan-1-ol?
The canonical SMILES for 2-amino-6,6-dimethylheptan-1-ol is CC(C)(C)CCCC(N)CO.
What is the InChIKey of 2-amino-6,6-dimethylheptan-1-ol?
The InChIKey is PLEYAXQFIMNMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-9(2,3)6-4-5-8(10)7-11/h8,11H,4-7,10H2,1-3H3.
What are the key properties of 2-amino-6,6-dimethylheptan-1-ol?
2-amino-6,6-dimethylheptan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,6-dimethylheptan-1-ol is sourced from PubChem (CID 88746496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).