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

C12H25NO — CID 142013513

IUPAC(Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol;ethane
SMILESC/C=C\C(=C/C)CC(CN)CO.CC
InChIInChI=1S/C10H19NO.C2H6/c1-3-5-9(4-2)6-10(7-11)8-12;1-2/h3-5,10,12H,6-8,11H2,1-2H3;1-2H3/b5-3-,9-4+;
InChIKeyPLLRCPHKCPOVFJ-XNDFSMPPSA-N
MW199.34 g/mol
LogP2.49
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 142013513) has the molecular formula C12H25NO and a molecular weight of 199.34 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 CID142013513
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol;ethane
SMILESC/C=C\C(=C/C)CC(CN)CO.CC
InChIInChI=1S/C10H19NO.C2H6/c1-3-5-9(4-2)6-10(7-11)8-12;1-2/h3-5,10,12H,6-8,11H2,1-2H3;1-2H3/b5-3-,9-4+;
InChIKeyPLLRCPHKCPOVFJ-XNDFSMPPSA-N
XLogP2.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.49
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 142013513) 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.
What is the InChIKey of (Z,4Z)-2-(aminomethyl)-4-ethylidenehept-5-en-1-ol;ethane?
The InChIKey is PLLRCPHKCPOVFJ-XNDFSMPPSA-N. The full InChI is InChI=1S/C10H19NO.C2H6/c1-3-5-9(4-2)6-10(7-11)8-12;1-2/h3-5,10,12H,6-8,11H2,1-2H3;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 199.34 g/mol, XLogP of 2.49, 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 142013513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).