(Z,2E)-2-ethylidene-5-methoxy-N-pentylpent-3-en-1-amine

C13H25NO — CID 135225387

IUPAC(Z,2E)-2-ethylidene-5-methoxy-N-pentylpent-3-en-1-amine
SMILESC/C=C(\C=C/COC)CNCCCCC
InChIInChI=1S/C13H25NO/c1-4-6-7-10-14-12-13(5-2)9-8-11-15-3/h5,8-9,14H,4,6-7,10-12H2,1-3H3/b9-8-,13-5+
InChIKeyVCJRXSYVZOLDDN-CTUCXJIYSA-N
MW211.35 g/mol
LogP2.92
Rot. Bonds9

About (Z,2E)-2-ethylidene-5-methoxy-N-pentylpent-3-en-1-amine

(Z,2E)-2-ethylidene-5-methoxy-N-pentylpent-3-en-1-amine (PubChem CID 135225387) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (Z,2E)-2-ethylidene-5-methoxy-N-pentylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z,2E)-2-ethylidene-5-methoxy-N-pentylpent-3-en-1-amine
PubChem CID135225387
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(Z,2E)-2-ethylidene-5-methoxy-N-pentylpent-3-en-1-amine
SMILESC/C=C(\C=C/COC)CNCCCCC
InChIInChI=1S/C13H25NO/c1-4-6-7-10-14-12-13(5-2)9-8-11-15-3/h5,8-9,14H,4,6-7,10-12H2,1-3H3/b9-8-,13-5+
InChIKeyVCJRXSYVZOLDDN-CTUCXJIYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2E)-2-ethylidene-5-methoxy-N-pentylpent-3-en-1-amine?
The IUPAC name of (Z,2E)-2-ethylidene-5-methoxy-N-pentylpent-3-en-1-amine (CID 135225387) is (Z,2E)-2-ethylidene-5-methoxy-N-pentylpent-3-en-1-amine.
What is the SMILES notation for (Z,2E)-2-ethylidene-5-methoxy-N-pentylpent-3-en-1-amine?
The canonical SMILES for (Z,2E)-2-ethylidene-5-methoxy-N-pentylpent-3-en-1-amine is C/C=C(\C=C/COC)CNCCCCC.
What is the InChIKey of (Z,2E)-2-ethylidene-5-methoxy-N-pentylpent-3-en-1-amine?
The InChIKey is VCJRXSYVZOLDDN-CTUCXJIYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-6-7-10-14-12-13(5-2)9-8-11-15-3/h5,8-9,14H,4,6-7,10-12H2,1-3H3/b9-8-,13-5+.
What are the key properties of (Z,2E)-2-ethylidene-5-methoxy-N-pentylpent-3-en-1-amine?
(Z,2E)-2-ethylidene-5-methoxy-N-pentylpent-3-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-ethylidene-5-methoxy-N-pentylpent-3-en-1-amine is sourced from PubChem (CID 135225387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).