(2Z,4E)-3-(aminomethyl)-6-methylhepta-2,4-dien-4-ol

C9H17NO — CID 89044202

IUPAC(2Z,4E)-3-(aminomethyl)-6-methylhepta-2,4-dien-4-ol
SMILESC/C=C(CN)\C(O)=C/C(C)C
InChIInChI=1S/C9H17NO/c1-4-8(6-10)9(11)5-7(2)3/h4-5,7,11H,6,10H2,1-3H3/b8-4-,9-5+
InChIKeyWOJBTYJYLBXSMG-MVTUOISNSA-N
MW155.24 g/mol
LogP1.99
Rot. Bonds3

About (2Z,4E)-3-(aminomethyl)-6-methylhepta-2,4-dien-4-ol

(2Z,4E)-3-(aminomethyl)-6-methylhepta-2,4-dien-4-ol (PubChem CID 89044202) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2Z,4E)-3-(aminomethyl)-6-methylhepta-2,4-dien-4-ol.

Molecular Properties

Compound Name(2Z,4E)-3-(aminomethyl)-6-methylhepta-2,4-dien-4-ol
PubChem CID89044202
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2Z,4E)-3-(aminomethyl)-6-methylhepta-2,4-dien-4-ol
SMILESC/C=C(CN)\C(O)=C/C(C)C
InChIInChI=1S/C9H17NO/c1-4-8(6-10)9(11)5-7(2)3/h4-5,7,11H,6,10H2,1-3H3/b8-4-,9-5+
InChIKeyWOJBTYJYLBXSMG-MVTUOISNSA-N
XLogP1.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.99
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 (2Z,4E)-3-(aminomethyl)-6-methylhepta-2,4-dien-4-ol?
The IUPAC name of (2Z,4E)-3-(aminomethyl)-6-methylhepta-2,4-dien-4-ol (CID 89044202) is (2Z,4E)-3-(aminomethyl)-6-methylhepta-2,4-dien-4-ol.
What is the SMILES notation for (2Z,4E)-3-(aminomethyl)-6-methylhepta-2,4-dien-4-ol?
The canonical SMILES for (2Z,4E)-3-(aminomethyl)-6-methylhepta-2,4-dien-4-ol is C/C=C(CN)\C(O)=C/C(C)C.
What is the InChIKey of (2Z,4E)-3-(aminomethyl)-6-methylhepta-2,4-dien-4-ol?
The InChIKey is WOJBTYJYLBXSMG-MVTUOISNSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-8(6-10)9(11)5-7(2)3/h4-5,7,11H,6,10H2,1-3H3/b8-4-,9-5+.
What are the key properties of (2Z,4E)-3-(aminomethyl)-6-methylhepta-2,4-dien-4-ol?
(2Z,4E)-3-(aminomethyl)-6-methylhepta-2,4-dien-4-ol has a molecular weight of 155.24 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-3-(aminomethyl)-6-methylhepta-2,4-dien-4-ol is sourced from PubChem (CID 89044202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).