2-amino-4,5-dimethylhex-5-en-2-ol

C8H17NO — CID 138459960

IUPAC2-amino-4,5-dimethylhex-5-en-2-ol
SMILESC=C(C)C(C)CC(C)(N)O
InChIInChI=1S/C8H17NO/c1-6(2)7(3)5-8(4,9)10/h7,10H,1,5,9H2,2-4H3
InChIKeyGCPCFLDLTUWQSU-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.26
Rot. Bonds3

About 2-amino-4,5-dimethylhex-5-en-2-ol

2-amino-4,5-dimethylhex-5-en-2-ol (PubChem CID 138459960) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-amino-4,5-dimethylhex-5-en-2-ol.

Molecular Properties

Compound Name2-amino-4,5-dimethylhex-5-en-2-ol
PubChem CID138459960
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-amino-4,5-dimethylhex-5-en-2-ol
SMILESC=C(C)C(C)CC(C)(N)O
InChIInChI=1S/C8H17NO/c1-6(2)7(3)5-8(4,9)10/h7,10H,1,5,9H2,2-4H3
InChIKeyGCPCFLDLTUWQSU-UHFFFAOYSA-N
XLogP1.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethylpent-4-en-1-ol
CID 14417455
2,6-diaminohexane-2,4-diol
CID 90758959
S-(2,3-dimethylbut-3-enyl)thiohydroxylamine
CID 155008236
2,3-dimethylpent-1-ene;ethane
CID 143286891
2-methylpropane;prop-1-en-2-amine
CID 174893746
ethyl 3,4-dimethylpent-4-enoate
CID 14786682
2,3,7,7-tetramethylocta-1,5-diene
CID 54573409
2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene
CID 158024808
bis(2,3-dimethylbut-3-en-2-amine);dihydrochloride
CID 174877306
2-amino-1-propan-2-yloxypropan-2-ol
CID 57307102
(4S)-2-methylpentane-2,4-diamine
CID 55284810
5-hydroxy-3,5-dimethylhexan-2-one
CID 79428904

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethylhex-5-en-2-ol?
The IUPAC name of 2-amino-4,5-dimethylhex-5-en-2-ol (CID 138459960) is 2-amino-4,5-dimethylhex-5-en-2-ol.
What is the SMILES notation for 2-amino-4,5-dimethylhex-5-en-2-ol?
The canonical SMILES for 2-amino-4,5-dimethylhex-5-en-2-ol is C=C(C)C(C)CC(C)(N)O.
What is the InChIKey of 2-amino-4,5-dimethylhex-5-en-2-ol?
The InChIKey is GCPCFLDLTUWQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-6(2)7(3)5-8(4,9)10/h7,10H,1,5,9H2,2-4H3.
What are the key properties of 2-amino-4,5-dimethylhex-5-en-2-ol?
2-amino-4,5-dimethylhex-5-en-2-ol has a molecular weight of 143.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethylhex-5-en-2-ol is sourced from PubChem (CID 138459960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).