(1Z,3E)-4-methyl-1-(methylideneamino)trideca-1,3-dien-5-amine

C15H28N2 — CID 139395249

IUPAC(1Z,3E)-4-methyl-1-(methylideneamino)trideca-1,3-dien-5-amine
SMILESC=N/C=C\C=C(/C)C(N)CCCCCCCC
InChIInChI=1S/C15H28N2/c1-4-5-6-7-8-9-12-15(16)14(2)11-10-13-17-3/h10-11,13,15H,3-9,12,16H2,1-2H3/b13-10-,14-11+
InChIKeyGUUNOJRNWJHKGE-FXYWYECCSA-N
MW236.40 g/mol
LogP4.22
Rot. Bonds10

About (1Z,3E)-4-methyl-1-(methylideneamino)trideca-1,3-dien-5-amine

(1Z,3E)-4-methyl-1-(methylideneamino)trideca-1,3-dien-5-amine (PubChem CID 139395249) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is (1Z,3E)-4-methyl-1-(methylideneamino)trideca-1,3-dien-5-amine.

Molecular Properties

Compound Name(1Z,3E)-4-methyl-1-(methylideneamino)trideca-1,3-dien-5-amine
PubChem CID139395249
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name(1Z,3E)-4-methyl-1-(methylideneamino)trideca-1,3-dien-5-amine
SMILESC=N/C=C\C=C(/C)C(N)CCCCCCCC
InChIInChI=1S/C15H28N2/c1-4-5-6-7-8-9-12-15(16)14(2)11-10-13-17-3/h10-11,13,15H,3-9,12,16H2,1-2H3/b13-10-,14-11+
InChIKeyGUUNOJRNWJHKGE-FXYWYECCSA-N
XLogP4.22
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-4-methyl-1-(methylideneamino)trideca-1,3-dien-5-amine?
The IUPAC name of (1Z,3E)-4-methyl-1-(methylideneamino)trideca-1,3-dien-5-amine (CID 139395249) is (1Z,3E)-4-methyl-1-(methylideneamino)trideca-1,3-dien-5-amine.
What is the SMILES notation for (1Z,3E)-4-methyl-1-(methylideneamino)trideca-1,3-dien-5-amine?
The canonical SMILES for (1Z,3E)-4-methyl-1-(methylideneamino)trideca-1,3-dien-5-amine is C=N/C=C\C=C(/C)C(N)CCCCCCCC.
What is the InChIKey of (1Z,3E)-4-methyl-1-(methylideneamino)trideca-1,3-dien-5-amine?
The InChIKey is GUUNOJRNWJHKGE-FXYWYECCSA-N. The full InChI is InChI=1S/C15H28N2/c1-4-5-6-7-8-9-12-15(16)14(2)11-10-13-17-3/h10-11,13,15H,3-9,12,16H2,1-2H3/b13-10-,14-11+.
What are the key properties of (1Z,3E)-4-methyl-1-(methylideneamino)trideca-1,3-dien-5-amine?
(1Z,3E)-4-methyl-1-(methylideneamino)trideca-1,3-dien-5-amine has a molecular weight of 236.40 g/mol, XLogP of 4.22, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-4-methyl-1-(methylideneamino)trideca-1,3-dien-5-amine is sourced from PubChem (CID 139395249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).