(2E,4Z)-1-amino-2-methylhepta-2,4-dien-1-ol

C8H15NO — CID 163982381

IUPAC(2E,4Z)-1-amino-2-methylhepta-2,4-dien-1-ol
SMILESCC/C=C\C=C(/C)C(N)O
InChIInChI=1S/C8H15NO/c1-3-4-5-6-7(2)8(9)10/h4-6,8,10H,3,9H2,1-2H3/b5-4-,7-6+
InChIKeySZOBGFOLYGUHSX-SCFJQAPRSA-N
MW141.21 g/mol
LogP1.18
Rot. Bonds3

About (2E,4Z)-1-amino-2-methylhepta-2,4-dien-1-ol

(2E,4Z)-1-amino-2-methylhepta-2,4-dien-1-ol (PubChem CID 163982381) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2E,4Z)-1-amino-2-methylhepta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4Z)-1-amino-2-methylhepta-2,4-dien-1-ol
PubChem CID163982381
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2E,4Z)-1-amino-2-methylhepta-2,4-dien-1-ol
SMILESCC/C=C\C=C(/C)C(N)O
InChIInChI=1S/C8H15NO/c1-3-4-5-6-7(2)8(9)10/h4-6,8,10H,3,9H2,1-2H3/b5-4-,7-6+
InChIKeySZOBGFOLYGUHSX-SCFJQAPRSA-N
XLogP1.18
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 ≤ 51.18
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-methylnona-4,6-dien-3-ol
CID 90740001
ethane;(2E,4Z)-hepta-2,4-dien-2-ol
CID 142115176
(4E,6Z)-2-amino-4-methylnona-4,6-dienoic acid
CID 163683229
(2E,4Z)-2-methylhepta-2,4-dienamide
CID 143129883
(2E,4E)-2-methylhepta-2,4-dien-1-ol
CID 173250100
ethane;2-[[(2E,4Z)-hepta-2,4-dien-2-yl]oxymethyl]oxirane
CID 144930915
(2E,4Z)-2-methylhepta-2,4-diene-1-thiol
CID 145391343
(2Z,4Z)-N-methylhepta-2,4-dien-2-amine
CID 89431682
(5E)-octa-3,5-diene
CID 173104147
(Z)-1,3-diamino-2-methylprop-2-en-1-ol
CID 90246451
(2E,4Z)-N-ethylhepta-2,4-dien-2-amine
CID 166776251
(2E,4Z)-2-[(1E,3Z)-5-chlorohexa-1,3,5-trienoxy]hepta-2,4-diene
CID 143036281

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-1-amino-2-methylhepta-2,4-dien-1-ol?
The IUPAC name of (2E,4Z)-1-amino-2-methylhepta-2,4-dien-1-ol (CID 163982381) is (2E,4Z)-1-amino-2-methylhepta-2,4-dien-1-ol.
What is the SMILES notation for (2E,4Z)-1-amino-2-methylhepta-2,4-dien-1-ol?
The canonical SMILES for (2E,4Z)-1-amino-2-methylhepta-2,4-dien-1-ol is CC/C=C\C=C(/C)C(N)O.
What is the InChIKey of (2E,4Z)-1-amino-2-methylhepta-2,4-dien-1-ol?
The InChIKey is SZOBGFOLYGUHSX-SCFJQAPRSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-4-5-6-7(2)8(9)10/h4-6,8,10H,3,9H2,1-2H3/b5-4-,7-6+.
What are the key properties of (2E,4Z)-1-amino-2-methylhepta-2,4-dien-1-ol?
(2E,4Z)-1-amino-2-methylhepta-2,4-dien-1-ol has a molecular weight of 141.21 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-1-amino-2-methylhepta-2,4-dien-1-ol is sourced from PubChem (CID 163982381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).