1-ethyl-N-methyl-3-[3-methyl-4-(2-methylimino-3-propylimidazolidin-1-yl)butyl]imidazolidin-2-imine

C18H36N6 — CID 166862945

IUPAC1-ethyl-N-methyl-3-[3-methyl-4-(2-methylimino-3-propylimidazolidin-1-yl)butyl]imidazolidin-2-imine
SMILESCCCN1CCN(CC(C)CCN2CCN(CC)/C2=N\C)/C1=N\C
InChIInChI=1S/C18H36N6/c1-6-9-22-13-14-24(18(22)20-5)15-16(3)8-10-23-12-11-21(7-2)17(23)19-4/h16H,6-15H2,1-5H3/b19-17+,20-18-
InChIKeyBEQSNIGKWFJLHE-NADBREJJSA-N
MW336.53 g/mol
LogP1.65
Rot. Bonds8

About 1-ethyl-N-methyl-3-[3-methyl-4-(2-methylimino-3-propylimidazolidin-1-yl)butyl]imidazolidin-2-imine

1-ethyl-N-methyl-3-[3-methyl-4-(2-methylimino-3-propylimidazolidin-1-yl)butyl]imidazolidin-2-imine (PubChem CID 166862945) has the molecular formula C18H36N6 and a molecular weight of 336.53 g/mol. Its IUPAC name is 1-ethyl-N-methyl-3-[3-methyl-4-(2-methylimino-3-propylimidazolidin-1-yl)butyl]imidazolidin-2-imine.

Molecular Properties

Compound Name1-ethyl-N-methyl-3-[3-methyl-4-(2-methylimino-3-propylimidazolidin-1-yl)butyl]imidazolidin-2-imine
PubChem CID166862945
Molecular FormulaC18H36N6
Molecular Weight336.53 g/mol
Exact Mass336.30
IUPAC Name1-ethyl-N-methyl-3-[3-methyl-4-(2-methylimino-3-propylimidazolidin-1-yl)butyl]imidazolidin-2-imine
SMILESCCCN1CCN(CC(C)CCN2CCN(CC)/C2=N\C)/C1=N\C
InChIInChI=1S/C18H36N6/c1-6-9-22-13-14-24(18(22)20-5)15-16(3)8-10-23-12-11-21(7-2)17(23)19-4/h16H,6-15H2,1-5H3/b19-17+,20-18-
InChIKeyBEQSNIGKWFJLHE-NADBREJJSA-N
XLogP1.65
TPSA37.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.53
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylbutyl)-3-propylimidazolidin-2-imine
CID 144911681
1-(2-methylnonyl)-3-(2-methyloctyl)imidazolidin-2-one
CID 155068728
1-ethyl-3-[2-methyl-3-(methylamino)propyl]imidazolidin-2-one
CID 112546491
N-methyl-1-propylazepan-2-imine
CID 130445092
N,1-dimethyl-3-[(E)-pent-2-enyl]imidazolidin-2-imine
CID 166858736
1-propyl-4-[3-(propylamino)butyl]piperazine-2,5-dione
CID 79936715
1-(3-methylheptyl)imidazolidin-2-one
CID 130253756
1-[2-(1-ethoxy-2-methylpropan-2-yl)oxyethyl]-N,3-dimethylimidazolidin-2-imine
CID 177369359
5-(2,3-dioxo-4-propylpiperazin-1-yl)pentanenitrile
CID 113463112
4-[4-[2-(aminomethyl)phenyl]-2-methylbutyl]-1-ethyl-2,3-dihydro-1,4-benzodiazepin-5-one
CID 170259552
1-methyl-3-[3-(propylamino)butyl]imidazolidin-2-one
CID 62492199
1-ethyl-4-[3-(propylamino)butyl]piperazine-2,5-dione
CID 79936808

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-3-[3-methyl-4-(2-methylimino-3-propylimidazolidin-1-yl)butyl]imidazolidin-2-imine?
The IUPAC name of 1-ethyl-N-methyl-3-[3-methyl-4-(2-methylimino-3-propylimidazolidin-1-yl)butyl]imidazolidin-2-imine (CID 166862945) is 1-ethyl-N-methyl-3-[3-methyl-4-(2-methylimino-3-propylimidazolidin-1-yl)butyl]imidazolidin-2-imine.
What is the SMILES notation for 1-ethyl-N-methyl-3-[3-methyl-4-(2-methylimino-3-propylimidazolidin-1-yl)butyl]imidazolidin-2-imine?
The canonical SMILES for 1-ethyl-N-methyl-3-[3-methyl-4-(2-methylimino-3-propylimidazolidin-1-yl)butyl]imidazolidin-2-imine is CCCN1CCN(CC(C)CCN2CCN(CC)/C2=N\C)/C1=N\C.
What is the InChIKey of 1-ethyl-N-methyl-3-[3-methyl-4-(2-methylimino-3-propylimidazolidin-1-yl)butyl]imidazolidin-2-imine?
The InChIKey is BEQSNIGKWFJLHE-NADBREJJSA-N. The full InChI is InChI=1S/C18H36N6/c1-6-9-22-13-14-24(18(22)20-5)15-16(3)8-10-23-12-11-21(7-2)17(23)19-4/h16H,6-15H2,1-5H3/b19-17+,20-18-.
What are the key properties of 1-ethyl-N-methyl-3-[3-methyl-4-(2-methylimino-3-propylimidazolidin-1-yl)butyl]imidazolidin-2-imine?
1-ethyl-N-methyl-3-[3-methyl-4-(2-methylimino-3-propylimidazolidin-1-yl)butyl]imidazolidin-2-imine has a molecular weight of 336.53 g/mol, XLogP of 1.65, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-3-[3-methyl-4-(2-methylimino-3-propylimidazolidin-1-yl)butyl]imidazolidin-2-imine is sourced from PubChem (CID 166862945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).