(3Z)-7-N-butyl-6-ethyl-2-N,2-N,10-trimethyldodeca-1,3-diene-2,7,8-triamine

C21H43N3 — CID 134388513

IUPAC(3Z)-7-N-butyl-6-ethyl-2-N,2-N,10-trimethyldodeca-1,3-diene-2,7,8-triamine
SMILESC=C(/C=C\CC(CC)C(NCCCC)C(N)CC(C)CC)N(C)C
InChIInChI=1S/C21H43N3/c1-8-11-15-23-21(20(22)16-17(4)9-2)19(10-3)14-12-13-18(5)24(6)7/h12-13,17,19-21,23H,5,8-11,14-16,22H2,1-4,6-7H3/b13-12-
InChIKeyRGSWEFSONFNOIS-SEYXRHQNSA-N
MW337.60 g/mol
LogP4.56
Rot. Bonds14

About (3Z)-7-N-butyl-6-ethyl-2-N,2-N,10-trimethyldodeca-1,3-diene-2,7,8-triamine

(3Z)-7-N-butyl-6-ethyl-2-N,2-N,10-trimethyldodeca-1,3-diene-2,7,8-triamine (PubChem CID 134388513) has the molecular formula C21H43N3 and a molecular weight of 337.60 g/mol. Its IUPAC name is (3Z)-7-N-butyl-6-ethyl-2-N,2-N,10-trimethyldodeca-1,3-diene-2,7,8-triamine.

Molecular Properties

Compound Name(3Z)-7-N-butyl-6-ethyl-2-N,2-N,10-trimethyldodeca-1,3-diene-2,7,8-triamine
PubChem CID134388513
Molecular FormulaC21H43N3
Molecular Weight337.60 g/mol
Exact Mass337.35
IUPAC Name(3Z)-7-N-butyl-6-ethyl-2-N,2-N,10-trimethyldodeca-1,3-diene-2,7,8-triamine
SMILESC=C(/C=C\CC(CC)C(NCCCC)C(N)CC(C)CC)N(C)C
InChIInChI=1S/C21H43N3/c1-8-11-15-23-21(20(22)16-17(4)9-2)19(10-3)14-12-13-18(5)24(6)7/h12-13,17,19-21,23H,5,8-11,14-16,22H2,1-4,6-7H3/b13-12-
InChIKeyRGSWEFSONFNOIS-SEYXRHQNSA-N
XLogP4.56
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3Z)-7-N-butyl-6-ethyl-2-N,2-N,10-trimethyldodeca-1,3-diene-2,7,8-triamine with MolForge

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Related Compounds

(4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine
CID 88997990
3-N-(4,4-dimethylpent-1-en-2-yl)-2-N-[(2Z,4Z,8Z,9E)-3-fluoro-10-methyl-6-methylidene-5-prop-1-en-2-yl-8-prop-2-enylidenepentadeca-2,4,9-trien-2-yl]-4-methylhexane-2,3-diamine
CID 134187748
2-N-[[1-(6,7-difluoro-3,5-dimethyloctan-2-yl)-4,4-dimethylcyclobut-2-en-1-yl]methyl]-1-N-methyl-1-N-propylprop-2-ene-1,2-diamine
CID 155070653
4-[(2S)-3-butyl-2-methyl-1,2-dihydropyridin-6-yl]-N-[2-[2-(2-fluoropent-4-enyl)cyclopropyl]ethyl]butan-1-amine
CID 155204879
N-[(3Z)-6-ethyl-4-[(E)-4-fluoro-4-methylpent-2-en-3-yl]octa-1,3-dien-2-yl]cyclohexanamine
CID 156099488
3-fluoro-4-N,4-dihexylcyclohexa-1,5-diene-1,4-diamine
CID 172847712
(2S,3E)-5-N-[(2E,3S)-2-ethylidene-3-methylheptyl]-2-fluoro-4-N,4-N,3-trimethylnona-3,6-diene-4,5-diamine
CID 173863327
(5Z)-4-[(3Z,5Z)-3,4-difluoro-2-methylidenehepta-3,5-dienyl]-7-N-[(3Z)-6-fluorohexa-1,3-dien-2-yl]-1-N,5-dimethyl-6-prop-1-en-2-ylocta-5,7-diene-1,7-diamine
CID 173958548
(E)-9-N-(9-amino-2-fluoro-3-methylnonyl)-7,10-dimethyl-1-N-propan-2-ylundec-8-ene-1,9-diamine
CID 156802548
N,N'-dimethyl-N'-[(11Z,14Z)-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienyl]ethane-1,2-diamine
CID 58069871
2-[1-(1,2-Dihydropyridin-2-yl)decyl]-1,2-dihydropyridine
CID 67427103
1-N-(3-cyclohexa-1,3-dien-1-ylpropyl)-4-methyl-2-N-[(4-propan-2-ylcyclohexa-1,3-dien-1-yl)methyl]pentane-1,2-diamine
CID 67990663

Frequently Asked Questions

What is the IUPAC name of (3Z)-7-N-butyl-6-ethyl-2-N,2-N,10-trimethyldodeca-1,3-diene-2,7,8-triamine?
The IUPAC name of (3Z)-7-N-butyl-6-ethyl-2-N,2-N,10-trimethyldodeca-1,3-diene-2,7,8-triamine (CID 134388513) is (3Z)-7-N-butyl-6-ethyl-2-N,2-N,10-trimethyldodeca-1,3-diene-2,7,8-triamine.
What is the SMILES notation for (3Z)-7-N-butyl-6-ethyl-2-N,2-N,10-trimethyldodeca-1,3-diene-2,7,8-triamine?
The canonical SMILES for (3Z)-7-N-butyl-6-ethyl-2-N,2-N,10-trimethyldodeca-1,3-diene-2,7,8-triamine is C=C(/C=C\CC(CC)C(NCCCC)C(N)CC(C)CC)N(C)C.
What is the InChIKey of (3Z)-7-N-butyl-6-ethyl-2-N,2-N,10-trimethyldodeca-1,3-diene-2,7,8-triamine?
The InChIKey is RGSWEFSONFNOIS-SEYXRHQNSA-N. The full InChI is InChI=1S/C21H43N3/c1-8-11-15-23-21(20(22)16-17(4)9-2)19(10-3)14-12-13-18(5)24(6)7/h12-13,17,19-21,23H,5,8-11,14-16,22H2,1-4,6-7H3/b13-12-.
What are the key properties of (3Z)-7-N-butyl-6-ethyl-2-N,2-N,10-trimethyldodeca-1,3-diene-2,7,8-triamine?
(3Z)-7-N-butyl-6-ethyl-2-N,2-N,10-trimethyldodeca-1,3-diene-2,7,8-triamine has a molecular weight of 337.60 g/mol, XLogP of 4.56, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-7-N-butyl-6-ethyl-2-N,2-N,10-trimethyldodeca-1,3-diene-2,7,8-triamine is sourced from PubChem (CID 134388513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).