1,3-dimethyl-N-(4-phenylbutan-2-yl)imidazolidin-2-imine

C15H23N3 — CID 11149262

IUPAC1,3-dimethyl-N-(4-phenylbutan-2-yl)imidazolidin-2-imine
SMILESCC(CCc1ccccc1)N=C1N(C)CCN1C
InChIInChI=1S/C15H23N3/c1-13(9-10-14-7-5-4-6-8-14)16-15-17(2)11-12-18(15)3/h4-8,13H,9-12H2,1-3H3
InChIKeyFUQXXNIWFWHBAK-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.24
Rot. Bonds4

About 1,3-dimethyl-N-(4-phenylbutan-2-yl)imidazolidin-2-imine

1,3-dimethyl-N-(4-phenylbutan-2-yl)imidazolidin-2-imine (PubChem CID 11149262) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1,3-dimethyl-N-(4-phenylbutan-2-yl)imidazolidin-2-imine.

Molecular Properties

Compound Name1,3-dimethyl-N-(4-phenylbutan-2-yl)imidazolidin-2-imine
PubChem CID11149262
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1,3-dimethyl-N-(4-phenylbutan-2-yl)imidazolidin-2-imine
SMILESCC(CCc1ccccc1)N=C1N(C)CCN1C
InChIInChI=1S/C15H23N3/c1-13(9-10-14-7-5-4-6-8-14)16-15-17(2)11-12-18(15)3/h4-8,13H,9-12H2,1-3H3
InChIKeyFUQXXNIWFWHBAK-UHFFFAOYSA-N
XLogP2.24
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-N-[(1R)-1-phenylethyl]imidazolidin-2-imine
CID 101094846
2-(4-phenylbutan-2-yl)guanidine
CID 14088265
3-azidobutylbenzene
CID 11805255
1,1-diphenyl-N-(4-phenylbutan-2-yl)methan(15N)imine
CID 170780708
1-methyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine
CID 61461386
(2R)-4-phenylbutane-2-thiol
CID 28974861
(2S)-4-phenylbutan-2-amine
CID 6994564
ethene;3-methylbutylbenzene
CID 145421013
1-(3-methylbutyl)-3-(2-phenylethyl)benzene
CID 170689671
1-methyl-N-(4-phenylbutan-2-yl)piperidin-3-amine
CID 61210453
trimethyl(2-phenylethyl)phosphanium
CID 10777798
4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181589

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(4-phenylbutan-2-yl)imidazolidin-2-imine?
The IUPAC name of 1,3-dimethyl-N-(4-phenylbutan-2-yl)imidazolidin-2-imine (CID 11149262) is 1,3-dimethyl-N-(4-phenylbutan-2-yl)imidazolidin-2-imine.
What is the SMILES notation for 1,3-dimethyl-N-(4-phenylbutan-2-yl)imidazolidin-2-imine?
The canonical SMILES for 1,3-dimethyl-N-(4-phenylbutan-2-yl)imidazolidin-2-imine is CC(CCc1ccccc1)N=C1N(C)CCN1C.
What is the InChIKey of 1,3-dimethyl-N-(4-phenylbutan-2-yl)imidazolidin-2-imine?
The InChIKey is FUQXXNIWFWHBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-13(9-10-14-7-5-4-6-8-14)16-15-17(2)11-12-18(15)3/h4-8,13H,9-12H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-(4-phenylbutan-2-yl)imidazolidin-2-imine?
1,3-dimethyl-N-(4-phenylbutan-2-yl)imidazolidin-2-imine has a molecular weight of 245.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(4-phenylbutan-2-yl)imidazolidin-2-imine is sourced from PubChem (CID 11149262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).