3-N,4-N-dimethyl-3-N-[(4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-yl]hept-1-ene-2,3,4-triamine

C19H33N3 — CID 138716504

IUPAC3-N,4-N-dimethyl-3-N-[(4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-yl]hept-1-ene-2,3,4-triamine
SMILESC=C/C=C\C=C(/C)CC(=C)N(C)C(C(=C)N)C(CCC)NC
InChIInChI=1S/C19H33N3/c1-8-10-11-13-15(3)14-16(4)22(7)19(17(5)20)18(21-6)12-9-2/h8,10-11,13,18-19,21H,1,4-5,9,12,14,20H2,2-3,6-7H3/b11-10-,15-13+
InChIKeySAKJPXCCLLQILS-PCQKKHPJSA-N
MW303.49 g/mol
LogP3.74
Rot. Bonds11

About 3-N,4-N-dimethyl-3-N-[(4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-yl]hept-1-ene-2,3,4-triamine

3-N,4-N-dimethyl-3-N-[(4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-yl]hept-1-ene-2,3,4-triamine (PubChem CID 138716504) has the molecular formula C19H33N3 and a molecular weight of 303.49 g/mol. Its IUPAC name is 3-N,4-N-dimethyl-3-N-[(4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-yl]hept-1-ene-2,3,4-triamine.

Molecular Properties

Compound Name3-N,4-N-dimethyl-3-N-[(4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-yl]hept-1-ene-2,3,4-triamine
PubChem CID138716504
Molecular FormulaC19H33N3
Molecular Weight303.49 g/mol
Exact Mass303.27
IUPAC Name3-N,4-N-dimethyl-3-N-[(4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-yl]hept-1-ene-2,3,4-triamine
SMILESC=C/C=C\C=C(/C)CC(=C)N(C)C(C(=C)N)C(CCC)NC
InChIInChI=1S/C19H33N3/c1-8-10-11-13-15(3)14-16(4)22(7)19(17(5)20)18(21-6)12-9-2/h8,10-11,13,18-19,21H,1,4-5,9,12,14,20H2,2-3,6-7H3/b11-10-,15-13+
InChIKeySAKJPXCCLLQILS-PCQKKHPJSA-N
XLogP3.74
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N,4-N-dimethyl-3-N-[(4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-yl]hept-1-ene-2,3,4-triamine?
The IUPAC name of 3-N,4-N-dimethyl-3-N-[(4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-yl]hept-1-ene-2,3,4-triamine (CID 138716504) is 3-N,4-N-dimethyl-3-N-[(4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-yl]hept-1-ene-2,3,4-triamine.
What is the SMILES notation for 3-N,4-N-dimethyl-3-N-[(4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-yl]hept-1-ene-2,3,4-triamine?
The canonical SMILES for 3-N,4-N-dimethyl-3-N-[(4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-yl]hept-1-ene-2,3,4-triamine is C=C/C=C\C=C(/C)CC(=C)N(C)C(C(=C)N)C(CCC)NC.
What is the InChIKey of 3-N,4-N-dimethyl-3-N-[(4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-yl]hept-1-ene-2,3,4-triamine?
The InChIKey is SAKJPXCCLLQILS-PCQKKHPJSA-N. The full InChI is InChI=1S/C19H33N3/c1-8-10-11-13-15(3)14-16(4)22(7)19(17(5)20)18(21-6)12-9-2/h8,10-11,13,18-19,21H,1,4-5,9,12,14,20H2,2-3,6-7H3/b11-10-,15-13+.
What are the key properties of 3-N,4-N-dimethyl-3-N-[(4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-yl]hept-1-ene-2,3,4-triamine?
3-N,4-N-dimethyl-3-N-[(4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-yl]hept-1-ene-2,3,4-triamine has a molecular weight of 303.49 g/mol, XLogP of 3.74, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-N-dimethyl-3-N-[(4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-yl]hept-1-ene-2,3,4-triamine is sourced from PubChem (CID 138716504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).