1-amino-2,4-dimethylpent-4-en-1-ol

C7H15NO — CID 147866267

IUPAC1-amino-2,4-dimethylpent-4-en-1-ol
SMILESC=C(C)CC(C)C(N)O
InChIInChI=1S/C7H15NO/c1-5(2)4-6(3)7(8)9/h6-7,9H,1,4,8H2,2-3H3
InChIKeyHXSLUGYBOJGLND-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.87
Rot. Bonds3

About 1-amino-2,4-dimethylpent-4-en-1-ol

1-amino-2,4-dimethylpent-4-en-1-ol (PubChem CID 147866267) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-amino-2,4-dimethylpent-4-en-1-ol.

Molecular Properties

Compound Name1-amino-2,4-dimethylpent-4-en-1-ol
PubChem CID147866267
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-amino-2,4-dimethylpent-4-en-1-ol
SMILESC=C(C)CC(C)C(N)O
InChIInChI=1S/C7H15NO/c1-5(2)4-6(3)7(8)9/h6-7,9H,1,4,8H2,2-3H3
InChIKeyHXSLUGYBOJGLND-UHFFFAOYSA-N
XLogP0.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

1-Amino-2-methylpent-4-en-1-ol
CID 57180788
1-Amino-4-methylpent-4-en-1-ol
CID 87112346
1-Amino-2-propylpent-4-en-1-ol
CID 88029329
6-Amino-4-methylidenehexan-1-ol
CID 117268172
(4R)-4-(aminomethyl)-5-methylhex-5-en-1-ol
CID 142031045
(3S)-6-amino-3-methylhex-1-en-2-ol
CID 143710114
(2S)-1-amino-2-prop-1-en-2-ylpentan-1-ol
CID 145277324
(E)-1-amino-4-methylhex-4-en-1-ol
CID 146611124
(E)-2-(2-aminoethyl)-3-methylbut-1-en-1-ol
CID 169951521
(1R)-4-methyl-1-(methylamino)pent-4-en-1-ol
CID 173827306
6-Amino-5-methylhex-1-en-2-ol
CID 145524609

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,4-dimethylpent-4-en-1-ol?
The IUPAC name of 1-amino-2,4-dimethylpent-4-en-1-ol (CID 147866267) is 1-amino-2,4-dimethylpent-4-en-1-ol.
What is the SMILES notation for 1-amino-2,4-dimethylpent-4-en-1-ol?
The canonical SMILES for 1-amino-2,4-dimethylpent-4-en-1-ol is C=C(C)CC(C)C(N)O.
What is the InChIKey of 1-amino-2,4-dimethylpent-4-en-1-ol?
The InChIKey is HXSLUGYBOJGLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-5(2)4-6(3)7(8)9/h6-7,9H,1,4,8H2,2-3H3.
What are the key properties of 1-amino-2,4-dimethylpent-4-en-1-ol?
1-amino-2,4-dimethylpent-4-en-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,4-dimethylpent-4-en-1-ol is sourced from PubChem (CID 147866267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).