1-amino-2,3-dimethylpent-3-en-1-ol

C7H15NO — CID 90725287

IUPAC1-amino-2,3-dimethylpent-3-en-1-ol
SMILESCC=C(C)C(C)C(N)O
InChIInChI=1S/C7H15NO/c1-4-5(2)6(3)7(8)9/h4,6-7,9H,8H2,1-3H3
InChIKeyDHSIMXLJFNZVNH-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.87
Rot. Bonds2

About 1-amino-2,3-dimethylpent-3-en-1-ol

1-amino-2,3-dimethylpent-3-en-1-ol (PubChem CID 90725287) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-amino-2,3-dimethylpent-3-en-1-ol.

Molecular Properties

Compound Name1-amino-2,3-dimethylpent-3-en-1-ol
PubChem CID90725287
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-amino-2,3-dimethylpent-3-en-1-ol
SMILESCC=C(C)C(C)C(N)O
InChIInChI=1S/C7H15NO/c1-4-5(2)6(3)7(8)9/h4,6-7,9H,8H2,1-3H3
InChIKeyDHSIMXLJFNZVNH-UHFFFAOYSA-N
XLogP0.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.87
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

(E)-5-amino-2-methylpent-3-en-1-ol
CID 15755226
1-Amino-2-methylpent-4-en-1-ol
CID 57180788
1-Amino-2-(2-aminoethyl)-4-methylpent-3-en-1-ol
CID 87157834
1-Amino-2,6-dimethylhept-4-en-1-ol
CID 91061847
1-Amino-2-propan-2-ylbut-3-en-1-ol
CID 91085815
(4E)-1-amino-5,9-dimethyldeca-4,8-dien-1-ol
CID 117940937
1-Amino-3-methylbut-3-en-1-ol
CID 118365669
6,6-Diamino-3-methylhex-3-en-1-ol
CID 123254059
(Z)-1-amino-3-methylpent-3-en-1-ol
CID 130182127
Amino-(2,4-dimethylcyclohexa-2,4-dien-1-yl)methanol
CID 141968241
(Z)-1-amino-2-ethylpent-3-en-1-ol
CID 143165371
(E)-1-amino-4-methylhex-4-en-1-ol
CID 146611124

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,3-dimethylpent-3-en-1-ol?
The IUPAC name of 1-amino-2,3-dimethylpent-3-en-1-ol (CID 90725287) is 1-amino-2,3-dimethylpent-3-en-1-ol.
What is the SMILES notation for 1-amino-2,3-dimethylpent-3-en-1-ol?
The canonical SMILES for 1-amino-2,3-dimethylpent-3-en-1-ol is CC=C(C)C(C)C(N)O.
What is the InChIKey of 1-amino-2,3-dimethylpent-3-en-1-ol?
The InChIKey is DHSIMXLJFNZVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-5(2)6(3)7(8)9/h4,6-7,9H,8H2,1-3H3.
What are the key properties of 1-amino-2,3-dimethylpent-3-en-1-ol?
1-amino-2,3-dimethylpent-3-en-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,3-dimethylpent-3-en-1-ol is sourced from PubChem (CID 90725287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).