N'-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]ethane-1,2-diamine

C18H38N4 — CID 3016399

IUPACN'-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]ethane-1,2-diamine
SMILESCCCCCCCCCCCC1=NCCN1CCNCCN
InChIInChI=1S/C18H38N4/c1-2-3-4-5-6-7-8-9-10-11-18-21-15-17-22(18)16-14-20-13-12-19/h20H,2-17,19H2,1H3
InChIKeySPRVNAMHCBVRJW-UHFFFAOYSA-N
MW310.53 g/mol
LogP3.17
Rot. Bonds15

About N'-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]ethane-1,2-diamine

N'-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]ethane-1,2-diamine (PubChem CID 3016399) has the molecular formula C18H38N4 and a molecular weight of 310.53 g/mol. Its IUPAC name is N'-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]ethane-1,2-diamine
PubChem CID3016399
Molecular FormulaC18H38N4
Molecular Weight310.53 g/mol
Exact Mass310.31
IUPAC NameN'-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]ethane-1,2-diamine
SMILESCCCCCCCCCCCC1=NCCN1CCNCCN
InChIInChI=1S/C18H38N4/c1-2-3-4-5-6-7-8-9-10-11-18-21-15-17-22(18)16-14-20-13-12-19/h20H,2-17,19H2,1H3
InChIKeySPRVNAMHCBVRJW-UHFFFAOYSA-N
XLogP3.17
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[2-[2-(2-ethyl-4,5-dihydroimidazol-1-yl)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 21498701
1-pentyl-2-undecyl-4,5-dihydroimidazole
CID 67928425
2-[2-[(E)-heptadec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323520
(2-pentyl-4,5-dihydroimidazol-1-yl)methanamine
CID 69018271
2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67140518
2-[2-[(E)-heptadec-4-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323519
ethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol
CID 158671442
2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethanol;hydrobromide
CID 122612770
CID 90309566
CID 90309566
N-[2-(2-pentadecyl-4,5-dihydroimidazol-1-yl)ethyl]hexadecanamide
CID 3017980
2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanamine;octadecanoic acid
CID 70551983
2-[2-[(E)-dec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101322944

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]ethane-1,2-diamine (CID 3016399) is N'-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]ethane-1,2-diamine is CCCCCCCCCCCC1=NCCN1CCNCCN.
What is the InChIKey of N'-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]ethane-1,2-diamine?
The InChIKey is SPRVNAMHCBVRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N4/c1-2-3-4-5-6-7-8-9-10-11-18-21-15-17-22(18)16-14-20-13-12-19/h20H,2-17,19H2,1H3.
What are the key properties of N'-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]ethane-1,2-diamine?
N'-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]ethane-1,2-diamine has a molecular weight of 310.53 g/mol, XLogP of 3.17, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 3016399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).