2-amino-5-methylhex-5-en-1-ol

C7H15NO — CID 114477392

IUPAC2-amino-5-methylhex-5-en-1-ol
SMILESC=C(C)CCC(N)CO
InChIInChI=1S/C7H15NO/c1-6(2)3-4-7(8)5-9/h7,9H,1,3-5,8H2,2H3
InChIKeyUYRIDCXDJTWSGV-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.66
Rot. Bonds4

About 2-amino-5-methylhex-5-en-1-ol

2-amino-5-methylhex-5-en-1-ol (PubChem CID 114477392) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-amino-5-methylhex-5-en-1-ol.

Molecular Properties

Compound Name2-amino-5-methylhex-5-en-1-ol
PubChem CID114477392
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-amino-5-methylhex-5-en-1-ol
SMILESC=C(C)CCC(N)CO
InChIInChI=1S/C7H15NO/c1-6(2)3-4-7(8)5-9/h7,9H,1,3-5,8H2,2H3
InChIKeyUYRIDCXDJTWSGV-UHFFFAOYSA-N
XLogP0.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Amino-4-methylpent-4-en-1-ol
CID 55253753
2-Amino-4-methylidenehexan-1-ol
CID 55253962
3-Amino-4-methylpent-4-en-1-ol
CID 55283893
(S)-2-Amino-4-methyl-4-penten-1-ol
CID 55289993
1-Amino-4-methylpent-4-en-1-ol
CID 87112346
2-Amino-5-methylhex-5-en-3-ol
CID 87518036
(3S)-3-aminohept-1-en-2-ol
CID 88954833
7-Amino-5-methylideneoctan-1-ol
CID 89122258
(E)-3-amino-2-methylhex-1-ene-1,6-diol
CID 89153782
7-Amino-6-methylideneoctan-1-ol
CID 91152854
2-Amino-5-methylidenecyclohexan-1-ol
CID 91362154
6-Amino-4-methylidenehexan-1-ol
CID 117268172

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methylhex-5-en-1-ol?
The IUPAC name of 2-amino-5-methylhex-5-en-1-ol (CID 114477392) is 2-amino-5-methylhex-5-en-1-ol.
What is the SMILES notation for 2-amino-5-methylhex-5-en-1-ol?
The canonical SMILES for 2-amino-5-methylhex-5-en-1-ol is C=C(C)CCC(N)CO.
What is the InChIKey of 2-amino-5-methylhex-5-en-1-ol?
The InChIKey is UYRIDCXDJTWSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6(2)3-4-7(8)5-9/h7,9H,1,3-5,8H2,2H3.
What are the key properties of 2-amino-5-methylhex-5-en-1-ol?
2-amino-5-methylhex-5-en-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methylhex-5-en-1-ol is sourced from PubChem (CID 114477392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).