1-cyclopropyl-5-methyl-N-(2-prop-2-enylsulfanylphenyl)pyrrolidin-3-amine

C17H24N2S — CID 115904201

IUPAC1-cyclopropyl-5-methyl-N-(2-prop-2-enylsulfanylphenyl)pyrrolidin-3-amine
SMILESC=CCSc1ccccc1NC1CC(C)N(C2CC2)C1
InChIInChI=1S/C17H24N2S/c1-3-10-20-17-7-5-4-6-16(17)18-14-11-13(2)19(12-14)15-8-9-15/h3-7,13-15,18H,1,8-12H2,2H3
InChIKeyXBEDWGCKRKVPDX-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.00
Rot. Bonds6

About 1-cyclopropyl-5-methyl-N-(2-prop-2-enylsulfanylphenyl)pyrrolidin-3-amine

1-cyclopropyl-5-methyl-N-(2-prop-2-enylsulfanylphenyl)pyrrolidin-3-amine (PubChem CID 115904201) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-cyclopropyl-5-methyl-N-(2-prop-2-enylsulfanylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-5-methyl-N-(2-prop-2-enylsulfanylphenyl)pyrrolidin-3-amine
PubChem CID115904201
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name1-cyclopropyl-5-methyl-N-(2-prop-2-enylsulfanylphenyl)pyrrolidin-3-amine
SMILESC=CCSc1ccccc1NC1CC(C)N(C2CC2)C1
InChIInChI=1S/C17H24N2S/c1-3-10-20-17-7-5-4-6-16(17)18-14-11-13(2)19(12-14)15-8-9-15/h3-7,13-15,18H,1,8-12H2,2H3
InChIKeyXBEDWGCKRKVPDX-UHFFFAOYSA-N
XLogP4.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylcyclohexyl)-2-prop-2-enylsulfanylaniline
CID 64747196
1-propan-2-yl-N-(2-prop-2-enylsulfanylphenyl)piperidin-4-amine
CID 60927104
1-cyclopropyl-5-methyl-N-naphthalen-1-ylpyrrolidin-3-amine
CID 115928211
1-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 115904143
4-(2-prop-2-enylsulfanylanilino)piperidine-1-carboxamide
CID 60927749
1-cyclopropyl-5-methyl-N-(2-pyrazol-1-ylphenyl)pyrrolidin-3-amine
CID 115904145
1-cyclopropyl-N-(2,3-difluorophenyl)-5-methylpyrrolidin-3-amine
CID 113491642
(3R,5S)-3,5-dimethyl-N-(2-prop-2-enylsulfanylphenyl)piperidine-1-carboxamide
CID 51945547
N-(1-cyclopentylethyl)-2-prop-2-enylsulfanylaniline
CID 55191581
2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-1-phenylethanol
CID 115706037
(3S)-3-methyl-N-(2-prop-2-enylsulfanylphenyl)piperidine-1-carboxamide
CID 51945551
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-propan-2-yloxypyridin-3-amine
CID 115922180

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-methyl-N-(2-prop-2-enylsulfanylphenyl)pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-5-methyl-N-(2-prop-2-enylsulfanylphenyl)pyrrolidin-3-amine (CID 115904201) is 1-cyclopropyl-5-methyl-N-(2-prop-2-enylsulfanylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-5-methyl-N-(2-prop-2-enylsulfanylphenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-5-methyl-N-(2-prop-2-enylsulfanylphenyl)pyrrolidin-3-amine is C=CCSc1ccccc1NC1CC(C)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-5-methyl-N-(2-prop-2-enylsulfanylphenyl)pyrrolidin-3-amine?
The InChIKey is XBEDWGCKRKVPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-3-10-20-17-7-5-4-6-16(17)18-14-11-13(2)19(12-14)15-8-9-15/h3-7,13-15,18H,1,8-12H2,2H3.
What are the key properties of 1-cyclopropyl-5-methyl-N-(2-prop-2-enylsulfanylphenyl)pyrrolidin-3-amine?
1-cyclopropyl-5-methyl-N-(2-prop-2-enylsulfanylphenyl)pyrrolidin-3-amine has a molecular weight of 288.46 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-methyl-N-(2-prop-2-enylsulfanylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 115904201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).