(4E,6Z)-1-N'-butan-2-yl-1-N-cyclopropyl-3-N,3-N,4-trimethylnona-4,6,8-triene-1,1,3-triamine

C19H35N3 — CID 134270284

IUPAC(4E,6Z)-1-N'-butan-2-yl-1-N-cyclopropyl-3-N,3-N,4-trimethylnona-4,6,8-triene-1,1,3-triamine
SMILESC=C/C=C\C=C(/C)C(CC(NC(C)CC)NC1CC1)N(C)C
InChIInChI=1S/C19H35N3/c1-7-9-10-11-15(3)18(22(5)6)14-19(20-16(4)8-2)21-17-12-13-17/h7,9-11,16-21H,1,8,12-14H2,2-6H3/b10-9-,15-11+
InChIKeyGEPLIKGPJNAHBL-JCCAHGDBSA-N
MW305.51 g/mol
LogP3.46
Rot. Bonds11

About (4E,6Z)-1-N'-butan-2-yl-1-N-cyclopropyl-3-N,3-N,4-trimethylnona-4,6,8-triene-1,1,3-triamine

(4E,6Z)-1-N'-butan-2-yl-1-N-cyclopropyl-3-N,3-N,4-trimethylnona-4,6,8-triene-1,1,3-triamine (PubChem CID 134270284) has the molecular formula C19H35N3 and a molecular weight of 305.51 g/mol. Its IUPAC name is (4E,6Z)-1-N'-butan-2-yl-1-N-cyclopropyl-3-N,3-N,4-trimethylnona-4,6,8-triene-1,1,3-triamine.

Molecular Properties

Compound Name(4E,6Z)-1-N'-butan-2-yl-1-N-cyclopropyl-3-N,3-N,4-trimethylnona-4,6,8-triene-1,1,3-triamine
PubChem CID134270284
Molecular FormulaC19H35N3
Molecular Weight305.51 g/mol
Exact Mass305.28
IUPAC Name(4E,6Z)-1-N'-butan-2-yl-1-N-cyclopropyl-3-N,3-N,4-trimethylnona-4,6,8-triene-1,1,3-triamine
SMILESC=C/C=C\C=C(/C)C(CC(NC(C)CC)NC1CC1)N(C)C
InChIInChI=1S/C19H35N3/c1-7-9-10-11-15(3)18(22(5)6)14-19(20-16(4)8-2)21-17-12-13-17/h7,9-11,16-21H,1,8,12-14H2,2-6H3/b10-9-,15-11+
InChIKeyGEPLIKGPJNAHBL-JCCAHGDBSA-N
XLogP3.46
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexa-1,5-dien-1-yl-N'-(1-cyclohexa-1,5-dien-1-ylethyl)-N-(cyclohexa-1,3-dien-1-ylmethyl)methanediamine
CID 118183765
(3Z,6E)-1-N'-ethyl-1-N',6-dimethyl-2,5-dimethylidene-1-N-prop-2-enyldeca-3,6-diene-1,1-diamine
CID 124142836
3-N-[(2E)-2,3-ditert-butylpenta-2,4-dienyl]-3-N,4-dimethylpent-4-ene-1,1,3-triamine
CID 129054006
(1Z,3E,5Z)-1-N'-[1-(butylamino)but-3-enyl]-1-N,1-N'-dimethyl-3-prop-2-enyldeca-1,3,5-triene-1,1-diamine
CID 129089599
N'-butan-2-yl-N'-(cyclopropylmethyl)-N-[(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)methyl]methanediamine
CID 135181922
(4Z,5Z)-1-N-[1-[[2-(cyclopropen-1-yl)-2-(dimethylamino)ethyl]amino]ethenyl]-4-ethylidene-2-N,2-N-dimethylocta-5,7-diene-1,2-diamine
CID 135214431
1-N'-[(2E,4Z)-3,6-dimethylhepta-2,4,6-trien-2-yl]-1-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]-1-N'-pentylethene-1,1-diamine
CID 137401166
1-N-cyclopropyl-1-N'-[(2Z,4E,5Z)-4-ethylidene-8-methylnona-2,5,7-trien-3-yl]-1-N'-methylethane-1,1-diamine
CID 139378390
4-[[4,4-bis(butan-2-ylamino)cyclohexa-1,5-dien-1-yl]methyl]-1-N,1-N'-di(butan-2-yl)cyclohexa-2,4-diene-1,1-diamine
CID 140513402
ethane;6-ethenyl-1-methyl-5-[(Z)-prop-1-enyl]-2,3,4,7-tetrahydroazepin-4-amine
CID 141936869
methane;(Z)-1-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]hept-5-ene-1,3-diamine;molecular hydrogen
CID 142067711
3-N-cyclopentyl-1-N-[6-methyl-3-[(E)-pent-2-en-2-yl]-1,8a-dihydroquinolin-2-yl]pentane-1,3-diamine
CID 144575412

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-1-N'-butan-2-yl-1-N-cyclopropyl-3-N,3-N,4-trimethylnona-4,6,8-triene-1,1,3-triamine?
The IUPAC name of (4E,6Z)-1-N'-butan-2-yl-1-N-cyclopropyl-3-N,3-N,4-trimethylnona-4,6,8-triene-1,1,3-triamine (CID 134270284) is (4E,6Z)-1-N'-butan-2-yl-1-N-cyclopropyl-3-N,3-N,4-trimethylnona-4,6,8-triene-1,1,3-triamine.
What is the SMILES notation for (4E,6Z)-1-N'-butan-2-yl-1-N-cyclopropyl-3-N,3-N,4-trimethylnona-4,6,8-triene-1,1,3-triamine?
The canonical SMILES for (4E,6Z)-1-N'-butan-2-yl-1-N-cyclopropyl-3-N,3-N,4-trimethylnona-4,6,8-triene-1,1,3-triamine is C=C/C=C\C=C(/C)C(CC(NC(C)CC)NC1CC1)N(C)C.
What is the InChIKey of (4E,6Z)-1-N'-butan-2-yl-1-N-cyclopropyl-3-N,3-N,4-trimethylnona-4,6,8-triene-1,1,3-triamine?
The InChIKey is GEPLIKGPJNAHBL-JCCAHGDBSA-N. The full InChI is InChI=1S/C19H35N3/c1-7-9-10-11-15(3)18(22(5)6)14-19(20-16(4)8-2)21-17-12-13-17/h7,9-11,16-21H,1,8,12-14H2,2-6H3/b10-9-,15-11+.
What are the key properties of (4E,6Z)-1-N'-butan-2-yl-1-N-cyclopropyl-3-N,3-N,4-trimethylnona-4,6,8-triene-1,1,3-triamine?
(4E,6Z)-1-N'-butan-2-yl-1-N-cyclopropyl-3-N,3-N,4-trimethylnona-4,6,8-triene-1,1,3-triamine has a molecular weight of 305.51 g/mol, XLogP of 3.46, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-1-N'-butan-2-yl-1-N-cyclopropyl-3-N,3-N,4-trimethylnona-4,6,8-triene-1,1,3-triamine is sourced from PubChem (CID 134270284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).