1-(4-propylphenyl)pyrrolidin-2-imine

C13H18N2 — CID 43378673

IUPAC1-(4-propylphenyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1c1ccc(CCC)cc1
InChIInChI=1S/C13H18N2/c1-2-4-11-6-8-12(9-7-11)15-10-3-5-13(15)14/h6-9,14H,2-5,10H2,1H3/b14-13+
InChIKeyOUHDLLJYHCKNIB-BUHFOSPRSA-N
MW202.30 g/mol
LogP3.22
Rot. Bonds3

About 1-(4-propylphenyl)pyrrolidin-2-imine

1-(4-propylphenyl)pyrrolidin-2-imine (PubChem CID 43378673) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(4-propylphenyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(4-propylphenyl)pyrrolidin-2-imine
PubChem CID43378673
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-(4-propylphenyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1c1ccc(CCC)cc1
InChIInChI=1S/C13H18N2/c1-2-4-11-6-8-12(9-7-11)15-10-3-5-13(15)14/h6-9,14H,2-5,10H2,1H3/b14-13+
InChIKeyOUHDLLJYHCKNIB-BUHFOSPRSA-N
XLogP3.22
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.22
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-(4-pyrrolidin-1-ylphenyl)piperidin-2-imine
CID 63180024
1-(4-bromo-3-chlorophenyl)pyrrolidin-2-imine
CID 107613345
1-(3-bromo-4-fluorophenyl)pyrrolidin-2-imine
CID 104779800
1-(6-bromonaphthalen-2-yl)piperidin-2-imine
CID 81260115
1-(2-ethoxyphenyl)pyrrolidin-2-imine;hydrochloride
CID 20994507
1-(4-ethylphenyl)-2-methylidenepyrrolidine
CID 155197787
1-(5-methyl-3-pyridinyl)piperidin-2-imine
CID 107585793
2-fluoro-5-(2-iminopiperidin-1-yl)benzonitrile
CID 62315767
1-phenyl-4-(4-propylphenyl)piperazine
CID 141108902
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
2-(4-propylphenyl)-2-azaspiro[4.5]decane-1,8-dione
CID 66579436
benzene;ethane;1-(4-fluorophenyl)azetidin-2-one;1-fluoro-4-propylbenzene
CID 170633594

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylphenyl)pyrrolidin-2-imine?
The IUPAC name of 1-(4-propylphenyl)pyrrolidin-2-imine (CID 43378673) is 1-(4-propylphenyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(4-propylphenyl)pyrrolidin-2-imine?
The canonical SMILES for 1-(4-propylphenyl)pyrrolidin-2-imine is [H]/N=C1\CCCN1c1ccc(CCC)cc1.
What is the InChIKey of 1-(4-propylphenyl)pyrrolidin-2-imine?
The InChIKey is OUHDLLJYHCKNIB-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-4-11-6-8-12(9-7-11)15-10-3-5-13(15)14/h6-9,14H,2-5,10H2,1H3/b14-13+.
What are the key properties of 1-(4-propylphenyl)pyrrolidin-2-imine?
1-(4-propylphenyl)pyrrolidin-2-imine has a molecular weight of 202.30 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylphenyl)pyrrolidin-2-imine is sourced from PubChem (CID 43378673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).