4-ethenyl-2-N-ethyl-5-N-[2-methyl-3-(methylamino)dodecyl]hexane-1,2,5-triamine

C24H52N4 — CID 90819070

IUPAC4-ethenyl-2-N-ethyl-5-N-[2-methyl-3-(methylamino)dodecyl]hexane-1,2,5-triamine
SMILESC=CC(CC(CN)NCC)C(C)NCC(C)C(CCCCCCCCC)NC
InChIInChI=1S/C24H52N4/c1-7-10-11-12-13-14-15-16-24(26-6)20(4)19-28-21(5)22(8-2)17-23(18-25)27-9-3/h8,20-24,26-28H,2,7,9-19,25H2,1,3-6H3
InChIKeyPJAMICVZDDVHCG-UHFFFAOYSA-N
MW396.71 g/mol
LogP4.46
Rot. Bonds20

About 4-ethenyl-2-N-ethyl-5-N-[2-methyl-3-(methylamino)dodecyl]hexane-1,2,5-triamine

4-ethenyl-2-N-ethyl-5-N-[2-methyl-3-(methylamino)dodecyl]hexane-1,2,5-triamine (PubChem CID 90819070) has the molecular formula C24H52N4 and a molecular weight of 396.71 g/mol. Its IUPAC name is 4-ethenyl-2-N-ethyl-5-N-[2-methyl-3-(methylamino)dodecyl]hexane-1,2,5-triamine.

Molecular Properties

Compound Name4-ethenyl-2-N-ethyl-5-N-[2-methyl-3-(methylamino)dodecyl]hexane-1,2,5-triamine
PubChem CID90819070
Molecular FormulaC24H52N4
Molecular Weight396.71 g/mol
Exact Mass396.42
IUPAC Name4-ethenyl-2-N-ethyl-5-N-[2-methyl-3-(methylamino)dodecyl]hexane-1,2,5-triamine
SMILESC=CC(CC(CN)NCC)C(C)NCC(C)C(CCCCCCCCC)NC
InChIInChI=1S/C24H52N4/c1-7-10-11-12-13-14-15-16-24(26-6)20(4)19-28-21(5)22(8-2)17-23(18-25)27-9-3/h8,20-24,26-28H,2,7,9-19,25H2,1,3-6H3
InChIKeyPJAMICVZDDVHCG-UHFFFAOYSA-N
XLogP4.46
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.71
LogP ≤ 54.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-N-ethyl-3-fluoro-4,4,12-trimethyl-8-propan-2-yltridec-1-ene-5,7-diamine
CID 91353599
N-ethyl-2-methylnon-8-en-3-amine
CID 64496500
N'-[3-[1,7-di(cyclohex-3-en-1-yl)heptan-4-ylamino]propyl]propane-1,3-diamine
CID 90674842
N'-[2-[2-[1,5-bis(4-propan-2-ylcyclohexen-1-yl)pentan-3-ylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 21396683
4-Hept-6-enyltetradecane-1,3-diamine
CID 21411817
N-ethyl-4-methyloctadec-11-en-3-amine
CID 54151698
N,N'-dimethyl-N'-[(11Z,14Z)-2-[(9Z,12Z)-octadeca-9,12-dienyl]icosa-11,14-dienyl]ethane-1,2-diamine
CID 58069871
(3S,5S)-5-(4-methyl-3-methylidenepentyl)-N,1-di(propan-2-yl)pyrrolidin-3-amine
CID 59349312
(9E)-2-methyl-1-azacycloheptadec-9-ene;9-(3-methylbutyl)-azacycloheptadecane
CID 67722436
2-Methyl-1-azacycloheptadec-9-ene;9-(3-methylbutyl)-azacycloheptadecane
CID 67722438
N,N'-dimethyl-N'-(2-octadeca-9,12-dienylicosa-11,14-dienyl)ethane-1,2-diamine
CID 76686382
(Z)-6-methyl-4-N-[(Z)-octadec-9-enyl]pentacos-16-ene-2,4,5,7-tetramine
CID 88313458

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-N-ethyl-5-N-[2-methyl-3-(methylamino)dodecyl]hexane-1,2,5-triamine?
The IUPAC name of 4-ethenyl-2-N-ethyl-5-N-[2-methyl-3-(methylamino)dodecyl]hexane-1,2,5-triamine (CID 90819070) is 4-ethenyl-2-N-ethyl-5-N-[2-methyl-3-(methylamino)dodecyl]hexane-1,2,5-triamine.
What is the SMILES notation for 4-ethenyl-2-N-ethyl-5-N-[2-methyl-3-(methylamino)dodecyl]hexane-1,2,5-triamine?
The canonical SMILES for 4-ethenyl-2-N-ethyl-5-N-[2-methyl-3-(methylamino)dodecyl]hexane-1,2,5-triamine is C=CC(CC(CN)NCC)C(C)NCC(C)C(CCCCCCCCC)NC.
What is the InChIKey of 4-ethenyl-2-N-ethyl-5-N-[2-methyl-3-(methylamino)dodecyl]hexane-1,2,5-triamine?
The InChIKey is PJAMICVZDDVHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52N4/c1-7-10-11-12-13-14-15-16-24(26-6)20(4)19-28-21(5)22(8-2)17-23(18-25)27-9-3/h8,20-24,26-28H,2,7,9-19,25H2,1,3-6H3.
What are the key properties of 4-ethenyl-2-N-ethyl-5-N-[2-methyl-3-(methylamino)dodecyl]hexane-1,2,5-triamine?
4-ethenyl-2-N-ethyl-5-N-[2-methyl-3-(methylamino)dodecyl]hexane-1,2,5-triamine has a molecular weight of 396.71 g/mol, XLogP of 4.46, 20 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-N-ethyl-5-N-[2-methyl-3-(methylamino)dodecyl]hexane-1,2,5-triamine is sourced from PubChem (CID 90819070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).