(7E)-3-cyclopentyl-5-ethenyl-6-ethylimino-4-methylnona-2,4,7-triene-2,8-diamine

C19H31N3 — CID 175632558

IUPAC(7E)-3-cyclopentyl-5-ethenyl-6-ethylimino-4-methylnona-2,4,7-triene-2,8-diamine
SMILESC=CC(=C(C)C(=C(C)N)C1CCCC1)C(/C=C(\C)N)=N/CC
InChIInChI=1S/C19H31N3/c1-6-17(18(22-7-2)12-13(3)20)14(4)19(15(5)21)16-10-8-9-11-16/h6,12,16H,1,7-11,20-21H2,2-5H3/b13-12+,17-14?,19-15?,22-18+
InChIKeyUCFOYXOOSQPFSC-ASMJAQARSA-N
MW301.48 g/mol
LogP4.24
Rot. Bonds6

About (7E)-3-cyclopentyl-5-ethenyl-6-ethylimino-4-methylnona-2,4,7-triene-2,8-diamine

(7E)-3-cyclopentyl-5-ethenyl-6-ethylimino-4-methylnona-2,4,7-triene-2,8-diamine (PubChem CID 175632558) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is (7E)-3-cyclopentyl-5-ethenyl-6-ethylimino-4-methylnona-2,4,7-triene-2,8-diamine.

Molecular Properties

Compound Name(7E)-3-cyclopentyl-5-ethenyl-6-ethylimino-4-methylnona-2,4,7-triene-2,8-diamine
PubChem CID175632558
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name(7E)-3-cyclopentyl-5-ethenyl-6-ethylimino-4-methylnona-2,4,7-triene-2,8-diamine
SMILESC=CC(=C(C)C(=C(C)N)C1CCCC1)C(/C=C(\C)N)=N/CC
InChIInChI=1S/C19H31N3/c1-6-17(18(22-7-2)12-13(3)20)14(4)19(15(5)21)16-10-8-9-11-16/h6,12,16H,1,7-11,20-21H2,2-5H3/b13-12+,17-14?,19-15?,22-18+
InChIKeyUCFOYXOOSQPFSC-ASMJAQARSA-N
XLogP4.24
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (7E)-3-cyclopentyl-5-ethenyl-6-ethylimino-4-methylnona-2,4,7-triene-2,8-diamine?
The IUPAC name of (7E)-3-cyclopentyl-5-ethenyl-6-ethylimino-4-methylnona-2,4,7-triene-2,8-diamine (CID 175632558) is (7E)-3-cyclopentyl-5-ethenyl-6-ethylimino-4-methylnona-2,4,7-triene-2,8-diamine.
What is the SMILES notation for (7E)-3-cyclopentyl-5-ethenyl-6-ethylimino-4-methylnona-2,4,7-triene-2,8-diamine?
The canonical SMILES for (7E)-3-cyclopentyl-5-ethenyl-6-ethylimino-4-methylnona-2,4,7-triene-2,8-diamine is C=CC(=C(C)C(=C(C)N)C1CCCC1)C(/C=C(\C)N)=N/CC.
What is the InChIKey of (7E)-3-cyclopentyl-5-ethenyl-6-ethylimino-4-methylnona-2,4,7-triene-2,8-diamine?
The InChIKey is UCFOYXOOSQPFSC-ASMJAQARSA-N. The full InChI is InChI=1S/C19H31N3/c1-6-17(18(22-7-2)12-13(3)20)14(4)19(15(5)21)16-10-8-9-11-16/h6,12,16H,1,7-11,20-21H2,2-5H3/b13-12+,17-14?,19-15?,22-18+.
What are the key properties of (7E)-3-cyclopentyl-5-ethenyl-6-ethylimino-4-methylnona-2,4,7-triene-2,8-diamine?
(7E)-3-cyclopentyl-5-ethenyl-6-ethylimino-4-methylnona-2,4,7-triene-2,8-diamine has a molecular weight of 301.48 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-3-cyclopentyl-5-ethenyl-6-ethylimino-4-methylnona-2,4,7-triene-2,8-diamine is sourced from PubChem (CID 175632558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).