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

C14H31NO — CID 142013519

IUPAC(Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol;ethane
SMILESC/C=C\C(=C/C)CC(CN)CO.CC.CC
InChIInChI=1S/C10H19NO.2C2H6/c1-3-5-9(4-2)6-10(7-11)8-12;2*1-2/h3-5,10,12H,6-8,11H2,1-2H3;2*1-2H3/b5-3-,9-4+;;
InChIKeyOMPPTXQHCRKGLQ-ULOKQNOHSA-N
MW229.41 g/mol
LogP3.52
Rot. Bonds5

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

(Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol;ethane (PubChem CID 142013519) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is (Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol;ethane.

Molecular Properties

Compound Name(Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol;ethane
PubChem CID142013519
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name(Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol;ethane
SMILESC/C=C\C(=C/C)CC(CN)CO.CC.CC
InChIInChI=1S/C10H19NO.2C2H6/c1-3-5-9(4-2)6-10(7-11)8-12;2*1-2/h3-5,10,12H,6-8,11H2,1-2H3;2*1-2H3/b5-3-,9-4+;;
InChIKeyOMPPTXQHCRKGLQ-ULOKQNOHSA-N
XLogP3.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.52
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;ethane?
The IUPAC name of (Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol;ethane (CID 142013519) is (Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol;ethane.
What is the SMILES notation for (Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol;ethane?
The canonical SMILES for (Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol;ethane is C/C=C\C(=C/C)CC(CN)CO.CC.CC.
What is the InChIKey of (Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol;ethane?
The InChIKey is OMPPTXQHCRKGLQ-ULOKQNOHSA-N. The full InChI is InChI=1S/C10H19NO.2C2H6/c1-3-5-9(4-2)6-10(7-11)8-12;2*1-2/h3-5,10,12H,6-8,11H2,1-2H3;2*1-2H3/b5-3-,9-4+;;.
What are the key properties of (Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol;ethane?
(Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol;ethane has a molecular weight of 229.41 g/mol, XLogP of 3.52, 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;ethane is sourced from PubChem (CID 142013519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).