1-(2-methylbutyl)-3-propylimidazolidin-2-imine

C11H23N3 — CID 144911681

IUPAC1-(2-methylbutyl)-3-propylimidazolidin-2-imine
SMILES[H]/N=C1/N(CCC)CCN1CC(C)CC
InChIInChI=1S/C11H23N3/c1-4-6-13-7-8-14(11(13)12)9-10(3)5-2/h10,12H,4-9H2,1-3H3/b12-11-
InChIKeyYTHWQRJNPPWRPC-QXMHVHEDSA-N
MW197.33 g/mol
LogP1.99
Rot. Bonds5

About 1-(2-methylbutyl)-3-propylimidazolidin-2-imine

1-(2-methylbutyl)-3-propylimidazolidin-2-imine (PubChem CID 144911681) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-(2-methylbutyl)-3-propylimidazolidin-2-imine.

Molecular Properties

Compound Name1-(2-methylbutyl)-3-propylimidazolidin-2-imine
PubChem CID144911681
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-(2-methylbutyl)-3-propylimidazolidin-2-imine
SMILES[H]/N=C1/N(CCC)CCN1CC(C)CC
InChIInChI=1S/C11H23N3/c1-4-6-13-7-8-14(11(13)12)9-10(3)5-2/h10,12H,4-9H2,1-3H3/b12-11-
InChIKeyYTHWQRJNPPWRPC-QXMHVHEDSA-N
XLogP1.99
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-N-methyl-3-[3-methyl-4-(2-methylimino-3-propylimidazolidin-1-yl)butyl]imidazolidin-2-imine
CID 166862945
2-imino-3-methyl-1-propylimidazolidin-4-one
CID 45088423
2-(2-imino-3-methylimidazolidin-1-yl)ethyl thiohypofluorite
CID 138502698
1-methyl-4-[(2S)-2-methylbutyl]piperazine
CID 130224614
1-(2-aminophenyl)-3-(2-methylbutyl)imidazolidin-2-one
CID 113326184
1-cyclohexyl-3-dodecylimidazolidin-2-imine;hydrobromide
CID 158363881
1-(2-methylbutyl)piperazin-2-one;hydrobromide
CID 141488890
ethane;4-(2-methylbutyl)morpholine
CID 142525427
1-(2-bromoethyl)-4-(2-methylbutyl)-1,4-diazepane
CID 80667299
1-(2-methylbutyl)-3-propylimidazol-2-one
CID 116624704
N-[2-(3-ethyl-2-iminoimidazolidin-1-yl)ethyl]-N,1-dimethyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 129059249
1-(2-bromoethyl)-4-(2-methylbutyl)piperazine
CID 80674253

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)-3-propylimidazolidin-2-imine?
The IUPAC name of 1-(2-methylbutyl)-3-propylimidazolidin-2-imine (CID 144911681) is 1-(2-methylbutyl)-3-propylimidazolidin-2-imine.
What is the SMILES notation for 1-(2-methylbutyl)-3-propylimidazolidin-2-imine?
The canonical SMILES for 1-(2-methylbutyl)-3-propylimidazolidin-2-imine is [H]/N=C1/N(CCC)CCN1CC(C)CC.
What is the InChIKey of 1-(2-methylbutyl)-3-propylimidazolidin-2-imine?
The InChIKey is YTHWQRJNPPWRPC-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H23N3/c1-4-6-13-7-8-14(11(13)12)9-10(3)5-2/h10,12H,4-9H2,1-3H3/b12-11-.
What are the key properties of 1-(2-methylbutyl)-3-propylimidazolidin-2-imine?
1-(2-methylbutyl)-3-propylimidazolidin-2-imine has a molecular weight of 197.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)-3-propylimidazolidin-2-imine is sourced from PubChem (CID 144911681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).