(E)-N-(2,4-diiminopentyl)-N,6-dimethylnon-5-en-1-amine

C16H31N3 — CID 156544458

IUPAC(E)-N-(2,4-diiminopentyl)-N,6-dimethylnon-5-en-1-amine
SMILES[H]/N=C(\C)C/C(CN(C)CCCC/C=C(\C)CCC)=N\[H]
InChIInChI=1S/C16H31N3/c1-5-9-14(2)10-7-6-8-11-19(4)13-16(18)12-15(3)17/h10,17-18H,5-9,11-13H2,1-4H3/b14-10+,17-15+,18-16+
InChIKeyNJFHOZZOPZEILB-LHLAJSEZSA-N
MW265.44 g/mol
LogP4.28
Rot. Bonds11

About (E)-N-(2,4-diiminopentyl)-N,6-dimethylnon-5-en-1-amine

(E)-N-(2,4-diiminopentyl)-N,6-dimethylnon-5-en-1-amine (PubChem CID 156544458) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is (E)-N-(2,4-diiminopentyl)-N,6-dimethylnon-5-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2,4-diiminopentyl)-N,6-dimethylnon-5-en-1-amine
PubChem CID156544458
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name(E)-N-(2,4-diiminopentyl)-N,6-dimethylnon-5-en-1-amine
SMILES[H]/N=C(\C)C/C(CN(C)CCCC/C=C(\C)CCC)=N\[H]
InChIInChI=1S/C16H31N3/c1-5-9-14(2)10-7-6-8-11-19(4)13-16(18)12-15(3)17/h10,17-18H,5-9,11-13H2,1-4H3/b14-10+,17-15+,18-16+
InChIKeyNJFHOZZOPZEILB-LHLAJSEZSA-N
XLogP4.28
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,4-diiminopentyl)-N,6-dimethylnon-5-en-1-amine?
The IUPAC name of (E)-N-(2,4-diiminopentyl)-N,6-dimethylnon-5-en-1-amine (CID 156544458) is (E)-N-(2,4-diiminopentyl)-N,6-dimethylnon-5-en-1-amine.
What is the SMILES notation for (E)-N-(2,4-diiminopentyl)-N,6-dimethylnon-5-en-1-amine?
The canonical SMILES for (E)-N-(2,4-diiminopentyl)-N,6-dimethylnon-5-en-1-amine is [H]/N=C(\C)C/C(CN(C)CCCC/C=C(\C)CCC)=N\[H].
What is the InChIKey of (E)-N-(2,4-diiminopentyl)-N,6-dimethylnon-5-en-1-amine?
The InChIKey is NJFHOZZOPZEILB-LHLAJSEZSA-N. The full InChI is InChI=1S/C16H31N3/c1-5-9-14(2)10-7-6-8-11-19(4)13-16(18)12-15(3)17/h10,17-18H,5-9,11-13H2,1-4H3/b14-10+,17-15+,18-16+.
What are the key properties of (E)-N-(2,4-diiminopentyl)-N,6-dimethylnon-5-en-1-amine?
(E)-N-(2,4-diiminopentyl)-N,6-dimethylnon-5-en-1-amine has a molecular weight of 265.44 g/mol, XLogP of 4.28, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,4-diiminopentyl)-N,6-dimethylnon-5-en-1-amine is sourced from PubChem (CID 156544458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).