(3E)-3-N-[(Z)-2-ethyl-2-methylpent-3-enyl]-2-N,3-N,4-N-trimethylpenta-1,3-diene-2,3,4-triamine

C16H31N3 — CID 135269152

IUPAC(3E)-3-N-[(Z)-2-ethyl-2-methylpent-3-enyl]-2-N,3-N,4-N-trimethylpenta-1,3-diene-2,3,4-triamine
SMILESC=C(NC)/C(=C(/C)NC)N(C)CC(C)(/C=C\C)CC
InChIInChI=1S/C16H31N3/c1-9-11-16(5,10-2)12-19(8)15(13(3)17-6)14(4)18-7/h9,11,17-18H,3,10,12H2,1-2,4-8H3/b11-9-,15-14+
InChIKeyCQSNXKSJLDEIHO-DVRQTUGZSA-N
MW265.44 g/mol
LogP3.09
Rot. Bonds8

About (3E)-3-N-[(Z)-2-ethyl-2-methylpent-3-enyl]-2-N,3-N,4-N-trimethylpenta-1,3-diene-2,3,4-triamine

(3E)-3-N-[(Z)-2-ethyl-2-methylpent-3-enyl]-2-N,3-N,4-N-trimethylpenta-1,3-diene-2,3,4-triamine (PubChem CID 135269152) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is (3E)-3-N-[(Z)-2-ethyl-2-methylpent-3-enyl]-2-N,3-N,4-N-trimethylpenta-1,3-diene-2,3,4-triamine.

Molecular Properties

Compound Name(3E)-3-N-[(Z)-2-ethyl-2-methylpent-3-enyl]-2-N,3-N,4-N-trimethylpenta-1,3-diene-2,3,4-triamine
PubChem CID135269152
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name(3E)-3-N-[(Z)-2-ethyl-2-methylpent-3-enyl]-2-N,3-N,4-N-trimethylpenta-1,3-diene-2,3,4-triamine
SMILESC=C(NC)/C(=C(/C)NC)N(C)CC(C)(/C=C\C)CC
InChIInChI=1S/C16H31N3/c1-9-11-16(5,10-2)12-19(8)15(13(3)17-6)14(4)18-7/h9,11,17-18H,3,10,12H2,1-2,4-8H3/b11-9-,15-14+
InChIKeyCQSNXKSJLDEIHO-DVRQTUGZSA-N
XLogP3.09
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-6-N-[(3S)-3-(4,4-dimethylpent-1-en-2-ylamino)pentan-2-yl]-5-fluoro-3-prop-1-en-2-ylhepta-1,3,5-triene-2,6-diamine
CID 134187710
(3Z,5Z)-6-N-[(3S)-3-(4,4-dimethylpent-1-en-2-ylamino)butan-2-yl]-3-ethenyl-5-fluoro-2-N-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]hepta-1,3,5-triene-2,6-diamine
CID 134187723
(3E,5Z)-5-(1-aminoethenyl)-6-N-[(3E,5E)-5,6-dimethylocta-1,3,5-trien-3-yl]-2-N-[(3S)-3-(4,4-dimethylpent-1-en-2-ylamino)butan-2-yl]-3-fluorohepta-1,3,5-triene-2,6-diamine
CID 134187771
(4Z,6E)-7-N-[(3Z,5E)-5-(4-fluoro-1,2-dimethylcyclohexa-2,4-dien-1-yl)octa-3,5-dien-2-yl]-1-N-methyldeca-4,6,9-triene-1,2,7-triamine
CID 134478962
2,6-Ditert-butyl-1,2-dihydropyridine
CID 17915368
(4-Tert-butyl-1,2-dihydropyridin-6-yl)methanamine
CID 70235880
1-[(2E,4E,6Z)-5-tert-butylocta-2,4,6-trien-2-yl]piperazine
CID 89126403
4-tert-butyl-N-[(3E)-hepta-1,3-dien-3-yl]cyclohexa-2,4-dien-1-amine
CID 89138171
N',N'-diethyl-N-[1-(4-methylcyclohexa-1,5-dien-1-yl)ethenyl]ethane-1,2-diamine
CID 89337015
(3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-1,3,5-trien-2-amine
CID 89355298
N'-cyclohexa-1,3-dien-1-yl-N-methylethane-1,2-diamine
CID 89363928
N'-methyl-N-[(2E,4E)-4-methylhepta-2,4,6-trien-3-yl]-N'-[4-[[(2E,4E)-4-methylhepta-2,4,6-trien-3-yl]amino]butyl]butane-1,4-diamine
CID 118890333

Frequently Asked Questions

What is the IUPAC name of (3E)-3-N-[(Z)-2-ethyl-2-methylpent-3-enyl]-2-N,3-N,4-N-trimethylpenta-1,3-diene-2,3,4-triamine?
The IUPAC name of (3E)-3-N-[(Z)-2-ethyl-2-methylpent-3-enyl]-2-N,3-N,4-N-trimethylpenta-1,3-diene-2,3,4-triamine (CID 135269152) is (3E)-3-N-[(Z)-2-ethyl-2-methylpent-3-enyl]-2-N,3-N,4-N-trimethylpenta-1,3-diene-2,3,4-triamine.
What is the SMILES notation for (3E)-3-N-[(Z)-2-ethyl-2-methylpent-3-enyl]-2-N,3-N,4-N-trimethylpenta-1,3-diene-2,3,4-triamine?
The canonical SMILES for (3E)-3-N-[(Z)-2-ethyl-2-methylpent-3-enyl]-2-N,3-N,4-N-trimethylpenta-1,3-diene-2,3,4-triamine is C=C(NC)/C(=C(/C)NC)N(C)CC(C)(/C=C\C)CC.
What is the InChIKey of (3E)-3-N-[(Z)-2-ethyl-2-methylpent-3-enyl]-2-N,3-N,4-N-trimethylpenta-1,3-diene-2,3,4-triamine?
The InChIKey is CQSNXKSJLDEIHO-DVRQTUGZSA-N. The full InChI is InChI=1S/C16H31N3/c1-9-11-16(5,10-2)12-19(8)15(13(3)17-6)14(4)18-7/h9,11,17-18H,3,10,12H2,1-2,4-8H3/b11-9-,15-14+.
What are the key properties of (3E)-3-N-[(Z)-2-ethyl-2-methylpent-3-enyl]-2-N,3-N,4-N-trimethylpenta-1,3-diene-2,3,4-triamine?
(3E)-3-N-[(Z)-2-ethyl-2-methylpent-3-enyl]-2-N,3-N,4-N-trimethylpenta-1,3-diene-2,3,4-triamine has a molecular weight of 265.44 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-N-[(Z)-2-ethyl-2-methylpent-3-enyl]-2-N,3-N,4-N-trimethylpenta-1,3-diene-2,3,4-triamine is sourced from PubChem (CID 135269152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).