(3E)-5-amino-6-methylhepta-1,3-dien-4-ol

C8H15NO — CID 147406203

IUPAC(3E)-5-amino-6-methylhepta-1,3-dien-4-ol
SMILESC=C/C=C(/O)C(N)C(C)C
InChIInChI=1S/C8H15NO/c1-4-5-7(10)8(9)6(2)3/h4-6,8,10H,1,9H2,2-3H3/b7-5+
InChIKeyDPSFQPNORIXMTN-FNORWQNLSA-N
MW141.21 g/mol
LogP1.60
Rot. Bonds3

About (3E)-5-amino-6-methylhepta-1,3-dien-4-ol

(3E)-5-amino-6-methylhepta-1,3-dien-4-ol (PubChem CID 147406203) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3E)-5-amino-6-methylhepta-1,3-dien-4-ol.

Molecular Properties

Compound Name(3E)-5-amino-6-methylhepta-1,3-dien-4-ol
PubChem CID147406203
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3E)-5-amino-6-methylhepta-1,3-dien-4-ol
SMILESC=C/C=C(/O)C(N)C(C)C
InChIInChI=1S/C8H15NO/c1-4-5-7(10)8(9)6(2)3/h4-6,8,10H,1,9H2,2-3H3/b7-5+
InChIKeyDPSFQPNORIXMTN-FNORWQNLSA-N
XLogP1.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-5-amino-6-methylhepta-1,3-dien-4-ol?
The IUPAC name of (3E)-5-amino-6-methylhepta-1,3-dien-4-ol (CID 147406203) is (3E)-5-amino-6-methylhepta-1,3-dien-4-ol.
What is the SMILES notation for (3E)-5-amino-6-methylhepta-1,3-dien-4-ol?
The canonical SMILES for (3E)-5-amino-6-methylhepta-1,3-dien-4-ol is C=C/C=C(/O)C(N)C(C)C.
What is the InChIKey of (3E)-5-amino-6-methylhepta-1,3-dien-4-ol?
The InChIKey is DPSFQPNORIXMTN-FNORWQNLSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-7(10)8(9)6(2)3/h4-6,8,10H,1,9H2,2-3H3/b7-5+.
What are the key properties of (3E)-5-amino-6-methylhepta-1,3-dien-4-ol?
(3E)-5-amino-6-methylhepta-1,3-dien-4-ol has a molecular weight of 141.21 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-amino-6-methylhepta-1,3-dien-4-ol is sourced from PubChem (CID 147406203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).