3-amino-3,4-dimethylheptan-1-ol

C9H21NO — CID 154158859

IUPAC3-amino-3,4-dimethylheptan-1-ol
SMILESCCCC(C)C(C)(N)CCO
InChIInChI=1S/C9H21NO/c1-4-5-8(2)9(3,10)6-7-11/h8,11H,4-7,10H2,1-3H3
InChIKeyIWQUGWVRKXZDFL-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.52
Rot. Bonds5

About 3-amino-3,4-dimethylheptan-1-ol

3-amino-3,4-dimethylheptan-1-ol (PubChem CID 154158859) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 3-amino-3,4-dimethylheptan-1-ol.

Molecular Properties

Compound Name3-amino-3,4-dimethylheptan-1-ol
PubChem CID154158859
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name3-amino-3,4-dimethylheptan-1-ol
SMILESCCCC(C)C(C)(N)CCO
InChIInChI=1S/C9H21NO/c1-4-5-8(2)9(3,10)6-7-11/h8,11H,4-7,10H2,1-3H3
InChIKeyIWQUGWVRKXZDFL-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3,4-dimethylhenicosan-1-ol;hydrobromide
CID 175455165
11,12-dimethylheptacosan-11-amine
CID 174255229
3-amino-2,3-dimethylhenicosan-1-ol
CID 87131556
(3R)-4-amino-3,4-dimethylpentan-1-ol
CID 97030968
ethane;3,3,4-trimethylheptan-1-amine
CID 143679241
4,5,5-trimethyldodecane
CID 123360574
4-aminoheptane-1,3,3-triol
CID 140684101
3-[[3-(2,3-dimethylhexan-2-yl)oxiran-2-yl]amino]-3-methylbutan-1-ol
CID 123452920
3-methyl-2-phenylhexan-2-amine
CID 107892285
3-amino-3-methylbutan-1-ol
CID 641000
(2S,3S)-2-aminohexan-3-ol
CID 55285025
6-ethyl-2,6,7-trimethyldecane
CID 123269799

Frequently Asked Questions

What is the IUPAC name of 3-amino-3,4-dimethylheptan-1-ol?
The IUPAC name of 3-amino-3,4-dimethylheptan-1-ol (CID 154158859) is 3-amino-3,4-dimethylheptan-1-ol.
What is the SMILES notation for 3-amino-3,4-dimethylheptan-1-ol?
The canonical SMILES for 3-amino-3,4-dimethylheptan-1-ol is CCCC(C)C(C)(N)CCO.
What is the InChIKey of 3-amino-3,4-dimethylheptan-1-ol?
The InChIKey is IWQUGWVRKXZDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-5-8(2)9(3,10)6-7-11/h8,11H,4-7,10H2,1-3H3.
What are the key properties of 3-amino-3,4-dimethylheptan-1-ol?
3-amino-3,4-dimethylheptan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3,4-dimethylheptan-1-ol is sourced from PubChem (CID 154158859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).