N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrrol-1-ium-5-amine

C13H19N2+ — CID 7059286

IUPACN-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrrol-1-ium-5-amine
SMILESCC(C)c1ccc(NC2=[NH+]CCC2)cc1
InChIInChI=1S/C13H18N2/c1-10(2)11-5-7-12(8-6-11)15-13-4-3-9-14-13/h5-8,10H,3-4,9H2,1-2H3,(H,14,15)/p+1
InChIKeyHDJOUCALYJJSID-UHFFFAOYSA-O
MW203.31 g/mol
LogP1.49
Rot. Bonds2

About N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrrol-1-ium-5-amine

N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrrol-1-ium-5-amine (PubChem CID 7059286) has the molecular formula C13H19N2+ and a molecular weight of 203.31 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrrol-1-ium-5-amine.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrrol-1-ium-5-amine
PubChem CID7059286
Molecular FormulaC13H19N2+
Molecular Weight203.31 g/mol
Exact Mass203.15
IUPAC NameN-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrrol-1-ium-5-amine
SMILESCC(C)c1ccc(NC2=[NH+]CCC2)cc1
InChIInChI=1S/C13H18N2/c1-10(2)11-5-7-12(8-6-11)15-13-4-3-9-14-13/h5-8,10H,3-4,9H2,1-2H3,(H,14,15)/p+1
InChIKeyHDJOUCALYJJSID-UHFFFAOYSA-O
XLogP1.49
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 71359938
N-[(1R)-1-phenylethyl]-3,4-dihydro-2H-pyrrol-1-ium-5-amine
CID 2319890
3,5-di(propan-2-yl)-N-(4-propan-2-ylphenyl)aniline
CID 177290097
4-(4-propan-2-ylanilino)phenol
CID 21326552
cumene;N-phenylaniline
CID 22645781
(4-propan-2-ylphenyl)hydrazine
CID 2733249
2,6-dibromo-N-(4-propan-2-ylphenyl)aniline
CID 121004901
6-bromo-N-(4-propan-2-ylphenyl)pyridin-2-amine
CID 63962569
N-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide
CID 112986646
N-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
CID 2360618
3-(4-propan-2-ylanilino)cyclobutane-1-carbonitrile
CID 155748037
2-fluoro-N-(4-propan-2-ylphenyl)aniline
CID 155290026

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrrol-1-ium-5-amine?
The IUPAC name of N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrrol-1-ium-5-amine (CID 7059286) is N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrrol-1-ium-5-amine.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrrol-1-ium-5-amine?
The canonical SMILES for N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrrol-1-ium-5-amine is CC(C)c1ccc(NC2=[NH+]CCC2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrrol-1-ium-5-amine?
The InChIKey is HDJOUCALYJJSID-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H18N2/c1-10(2)11-5-7-12(8-6-11)15-13-4-3-9-14-13/h5-8,10H,3-4,9H2,1-2H3,(H,14,15)/p+1.
What are the key properties of N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrrol-1-ium-5-amine?
N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrrol-1-ium-5-amine has a molecular weight of 203.31 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyrrol-1-ium-5-amine is sourced from PubChem (CID 7059286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).