5-N-[1-[(2-but-3-enyl-4-methylhex-5-enyl)amino]ethenyl]-2-N-tert-butyl-6,6-dimethylhept-1-ene-2,5-diamine

C26H49N3 — CID 143352791

IUPAC5-N-[1-[(2-but-3-enyl-4-methylhex-5-enyl)amino]ethenyl]-2-N-tert-butyl-6,6-dimethylhept-1-ene-2,5-diamine
SMILESC=CCCC(CNC(=C)NC(CCC(=C)NC(C)(C)C)C(C)(C)C)CC(C)C=C
InChIInChI=1S/C26H49N3/c1-12-14-15-23(18-20(3)13-2)19-27-22(5)28-24(25(6,7)8)17-16-21(4)29-26(9,10)11/h12-13,20,23-24,27-29H,1-2,4-5,14-19H2,3,6-11H3
InChIKeyDGWWIKITDYSSFX-UHFFFAOYSA-N
MW403.70 g/mol
LogP6.53
Rot. Bonds15

About 5-N-[1-[(2-but-3-enyl-4-methylhex-5-enyl)amino]ethenyl]-2-N-tert-butyl-6,6-dimethylhept-1-ene-2,5-diamine

5-N-[1-[(2-but-3-enyl-4-methylhex-5-enyl)amino]ethenyl]-2-N-tert-butyl-6,6-dimethylhept-1-ene-2,5-diamine (PubChem CID 143352791) has the molecular formula C26H49N3 and a molecular weight of 403.70 g/mol. Its IUPAC name is 5-N-[1-[(2-but-3-enyl-4-methylhex-5-enyl)amino]ethenyl]-2-N-tert-butyl-6,6-dimethylhept-1-ene-2,5-diamine.

Molecular Properties

Compound Name5-N-[1-[(2-but-3-enyl-4-methylhex-5-enyl)amino]ethenyl]-2-N-tert-butyl-6,6-dimethylhept-1-ene-2,5-diamine
PubChem CID143352791
Molecular FormulaC26H49N3
Molecular Weight403.70 g/mol
Exact Mass403.39
IUPAC Name5-N-[1-[(2-but-3-enyl-4-methylhex-5-enyl)amino]ethenyl]-2-N-tert-butyl-6,6-dimethylhept-1-ene-2,5-diamine
SMILESC=CCCC(CNC(=C)NC(CCC(=C)NC(C)(C)C)C(C)(C)C)CC(C)C=C
InChIInChI=1S/C26H49N3/c1-12-14-15-23(18-20(3)13-2)19-27-22(5)28-24(25(6,7)8)17-16-21(4)29-26(9,10)11/h12-13,20,23-24,27-29H,1-2,4-5,14-19H2,3,6-11H3
InChIKeyDGWWIKITDYSSFX-UHFFFAOYSA-N
XLogP6.53
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.70
LogP ≤ 56.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-N-[1-[(2-but-3-enyl-4-methylhex-5-enyl)amino]ethenyl]-2-N-tert-butyl-6,6-dimethylhept-1-ene-2,5-diamine with MolForge

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Related Compounds

2,2,4-trimethyl-N-(3-methylbutan-2-yl)-N'-(3-methylpent-1-en-2-yl)hexane-1,6-diamine
CID 126746308
1-N-(3,4,4,7,7-pentamethyloct-1-en-2-yl)-3-N-propylbutane-1,3-diamine
CID 129093586
1-N-(3,3,6,6,8,9-hexamethylundec-10-enyl)-1-N'-(2,2,5,5-tetramethyloctyl)ethene-1,1-diamine
CID 134171508
1-N'-(4-ethenyl-10-methylundecan-2-yl)-1-N'-methyl-1-N-pentan-2-ylethene-1,1-diamine
CID 134482330
7-N,4,4,7-tetramethyl-2-N-(2-methylpentan-2-yl)oct-1-ene-2,7-diamine
CID 134502966
1-N-ethyl-2-methyl-1-N'-[(2R)-4-methylheptan-2-yl]but-3-ene-1,1-diamine
CID 137384940
5-N-[1-[(2-but-3-enyl-4-methylhex-5-enyl)amino]ethenyl]-2-N-tert-butyl-6,6-dimethylhept-1-ene-2,5-diamine;4-N-[3-[(1R,3S)-2,2-dimethyl-3-[[methyl(prop-1-en-2-yl)amino]methyl]cyclopropyl]prop-1-en-2-yl]-6-methyl-3-methylideneoct-1-ene-2,4-diamine;ethane;propane
CID 143352789
ethane;(2-methyl-3-methylidenepent-4-enyl)cyclobutane;1-N-methyl-1-N'-(2,2,5-trimethylhex-5-en-3-yl)ethene-1,1-diamine;propane;N-prop-1-en-2-ylpropan-1-amine;(5S)-2,3,4,5-tetramethylhept-1-ene;2,2,3-trimethylpentane
CID 143357332
5,5-bis(ethenyl)-1-N,1-N'-di(propan-2-yl)nonane-1,1-diamine
CID 152634778
but-1-ene;N-[1-(1,3-dimethylcyclobutyl)propyl]-3,4-dimethylpent-1-en-2-amine
CID 153393913
3,3,7-trimethyl-7-N-(3-methylbut-1-en-2-yl)-1-N-pent-1-en-2-yloctane-1,7-diamine
CID 155246570
1-N'-(3,4-diethyl-5-methyloct-1-en-2-yl)-1-N-[(2S)-heptan-2-yl]ethane-1,1-diamine
CID 156221609

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-[(2-but-3-enyl-4-methylhex-5-enyl)amino]ethenyl]-2-N-tert-butyl-6,6-dimethylhept-1-ene-2,5-diamine?
The IUPAC name of 5-N-[1-[(2-but-3-enyl-4-methylhex-5-enyl)amino]ethenyl]-2-N-tert-butyl-6,6-dimethylhept-1-ene-2,5-diamine (CID 143352791) is 5-N-[1-[(2-but-3-enyl-4-methylhex-5-enyl)amino]ethenyl]-2-N-tert-butyl-6,6-dimethylhept-1-ene-2,5-diamine.
What is the SMILES notation for 5-N-[1-[(2-but-3-enyl-4-methylhex-5-enyl)amino]ethenyl]-2-N-tert-butyl-6,6-dimethylhept-1-ene-2,5-diamine?
The canonical SMILES for 5-N-[1-[(2-but-3-enyl-4-methylhex-5-enyl)amino]ethenyl]-2-N-tert-butyl-6,6-dimethylhept-1-ene-2,5-diamine is C=CCCC(CNC(=C)NC(CCC(=C)NC(C)(C)C)C(C)(C)C)CC(C)C=C.
What is the InChIKey of 5-N-[1-[(2-but-3-enyl-4-methylhex-5-enyl)amino]ethenyl]-2-N-tert-butyl-6,6-dimethylhept-1-ene-2,5-diamine?
The InChIKey is DGWWIKITDYSSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49N3/c1-12-14-15-23(18-20(3)13-2)19-27-22(5)28-24(25(6,7)8)17-16-21(4)29-26(9,10)11/h12-13,20,23-24,27-29H,1-2,4-5,14-19H2,3,6-11H3.
What are the key properties of 5-N-[1-[(2-but-3-enyl-4-methylhex-5-enyl)amino]ethenyl]-2-N-tert-butyl-6,6-dimethylhept-1-ene-2,5-diamine?
5-N-[1-[(2-but-3-enyl-4-methylhex-5-enyl)amino]ethenyl]-2-N-tert-butyl-6,6-dimethylhept-1-ene-2,5-diamine has a molecular weight of 403.70 g/mol, XLogP of 6.53, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-[(2-but-3-enyl-4-methylhex-5-enyl)amino]ethenyl]-2-N-tert-butyl-6,6-dimethylhept-1-ene-2,5-diamine is sourced from PubChem (CID 143352791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).