N'-[2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl]ethane-1,2-diamine

C24H48N4 — CID 6436526

IUPACN'-[2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl]ethane-1,2-diamine
SMILESCCCCCCCC/C=C\CCCCCCCC1=NCCN1CCNCCN
InChIInChI=1S/C24H48N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-27-21-23-28(24)22-20-26-19-18-25/h9-10,26H,2-8,11-23,25H2,1H3/b10-9-
InChIKeySYNVBUPZJKYKQJ-KTKRTIGZSA-N
MW392.68 g/mol
LogP5.29
Rot. Bonds20

About N'-[2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl]ethane-1,2-diamine

N'-[2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl]ethane-1,2-diamine (PubChem CID 6436526) has the molecular formula C24H48N4 and a molecular weight of 392.68 g/mol. Its IUPAC name is N'-[2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl]ethane-1,2-diamine
PubChem CID6436526
Molecular FormulaC24H48N4
Molecular Weight392.68 g/mol
Exact Mass392.39
IUPAC NameN'-[2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl]ethane-1,2-diamine
SMILESCCCCCCCC/C=C\CCCCCCCC1=NCCN1CCNCCN
InChIInChI=1S/C24H48N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-27-21-23-28(24)22-20-26-19-18-25/h9-10,26H,2-8,11-23,25H2,1H3/b10-9-
InChIKeySYNVBUPZJKYKQJ-KTKRTIGZSA-N
XLogP5.29
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.68
LogP ≤ 55.29
H-Bond Donors ≤ 52
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

1H-Imidazole-1-ethanamine, 2-(8-heptadecen-1-yl)-4,5-dihydro-
CID 6437219
1H-Imidazole-1-ethanamine, 2-(8-heptadecen-1-yl)-4,5-dihydro-, acetate (1:1)
CID 6437221
2-(8-Heptadecen-1-yl)-N-(2-(2-(8-heptadecen-1-yl)-4,5-dihydro-1H-imidazol-1-yl)ethyl)-4,5-dihydro-1H-imidazole-1-ethanamine
CID 107490
(Z)-2-(8-heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethylamine
CID 6436525
2-(2-Heptadec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 88595
1H-Imidazole-1-ethanamine, 2-(heptadecen-1-yl)-4,5-dihydro-
CID 117624
N-(2-Aminoethyl)-N'-(2-(2-(8Z)-8-heptadecenyl-4,5-dihydro-1H-imidazol-1-yl)ethyl)1,2-ethanediamine
CID 22833348
N-(2-Aminoethyl)-N'-(2-(2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl)ethyl)ethylenediamine
CID 6437097
1-[2-[bis(2-aminoethyl)amino]ethyl]-2-[(Z)-octadec-9-enyl]guanidine
CID 172447033
Ethyl-2-oleyl imidazolinium-methyl sulfate
CID 88245202
1,1'-(1,2-Ethanediyl)bis[2-(8-heptadecen-1-yl)-4,5-dihydro-1H-imidazole]
CID 107406
2-(Octadec-9-EN-1-YL)-4,5-dihydro-1H-imidazole
CID 62631

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl]ethane-1,2-diamine (CID 6436526) is N'-[2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl]ethane-1,2-diamine is CCCCCCCC/C=C\CCCCCCCC1=NCCN1CCNCCN.
What is the InChIKey of N'-[2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl]ethane-1,2-diamine?
The InChIKey is SYNVBUPZJKYKQJ-KTKRTIGZSA-N. The full InChI is InChI=1S/C24H48N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-27-21-23-28(24)22-20-26-19-18-25/h9-10,26H,2-8,11-23,25H2,1H3/b10-9-.
What are the key properties of N'-[2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl]ethane-1,2-diamine?
N'-[2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl]ethane-1,2-diamine has a molecular weight of 392.68 g/mol, XLogP of 5.29, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 6436526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).