(Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol

C10H19NO — CID 142013514

IUPAC(Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol
SMILESC/C=C\C(=C/C)CC(CN)CO
InChIInChI=1S/C10H19NO/c1-3-5-9(4-2)6-10(7-11)8-12/h3-5,10,12H,6-8,11H2,1-2H3/b5-3-,9-4+
InChIKeyWPANYXGQWHINGU-LWUTYWFWSA-N
MW169.27 g/mol
LogP1.47
Rot. Bonds5

About (Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol

(Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol (PubChem CID 142013514) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol.

Molecular Properties

Compound Name(Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol
PubChem CID142013514
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol
SMILESC/C=C\C(=C/C)CC(CN)CO
InChIInChI=1S/C10H19NO/c1-3-5-9(4-2)6-10(7-11)8-12/h3-5,10,12H,6-8,11H2,1-2H3/b5-3-,9-4+
InChIKeyWPANYXGQWHINGU-LWUTYWFWSA-N
XLogP1.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol?
The IUPAC name of (Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol (CID 142013514) is (Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol.
What is the SMILES notation for (Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol?
The canonical SMILES for (Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol is C/C=C\C(=C/C)CC(CN)CO.
What is the InChIKey of (Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol?
The InChIKey is WPANYXGQWHINGU-LWUTYWFWSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-5-9(4-2)6-10(7-11)8-12/h3-5,10,12H,6-8,11H2,1-2H3/b5-3-,9-4+.
What are the key properties of (Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol?
(Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol is sourced from PubChem (CID 142013514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).