3-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline

C15H23N3 — CID 112647756

IUPAC3-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
SMILESCc1cc(N)cc(N2CCC(N3CCCC3)C2)c1
InChIInChI=1S/C15H23N3/c1-12-8-13(16)10-15(9-12)18-7-4-14(11-18)17-5-2-3-6-17/h8-10,14H,2-7,11,16H2,1H3
InChIKeyCICVEKWKLKDBQA-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.25
Rot. Bonds2

About 3-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline

3-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline (PubChem CID 112647756) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline.

Molecular Properties

Compound Name3-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
PubChem CID112647756
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name3-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
SMILESCc1cc(N)cc(N2CCC(N3CCCC3)C2)c1
InChIInChI=1S/C15H23N3/c1-12-8-13(16)10-15(9-12)18-7-4-14(11-18)17-5-2-3-6-17/h8-10,14H,2-7,11,16H2,1H3
InChIKeyCICVEKWKLKDBQA-UHFFFAOYSA-N
XLogP2.25
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethylphenyl)-4-(3-pyrrolidin-1-ylpiperidin-1-yl)piperidine
CID 45246753
3-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 63168101
5-(3-piperidin-1-ylpyrrolidin-1-yl)pyridin-3-amine
CID 113424017
1-(3-amino-5-methylphenyl)-N,N-diethylpyrrolidin-3-amine
CID 112647755
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-fluoroaniline
CID 63151057
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-methoxyaniline
CID 80737825
3-amino-5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)benzenesulfonamide
CID 79919032
3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]aniline
CID 112647964
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-ethoxyaniline
CID 80735103
2-methoxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 55231767
5-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridin-3-amine
CID 66280868
1-(3-amino-5-methylphenyl)-N-methylpiperidine-4-carboxamide
CID 112647193

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline?
The IUPAC name of 3-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline (CID 112647756) is 3-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline.
What is the SMILES notation for 3-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline?
The canonical SMILES for 3-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline is Cc1cc(N)cc(N2CCC(N3CCCC3)C2)c1.
What is the InChIKey of 3-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline?
The InChIKey is CICVEKWKLKDBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-12-8-13(16)10-15(9-12)18-7-4-14(11-18)17-5-2-3-6-17/h8-10,14H,2-7,11,16H2,1H3.
What are the key properties of 3-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline?
3-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline has a molecular weight of 245.37 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline is sourced from PubChem (CID 112647756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).