1-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine

C15H24N2 — CID 79007602

IUPAC1-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine
SMILESCCC(Cc1ccccc1)NC1CCN(C)C1
InChIInChI=1S/C15H24N2/c1-3-14(11-13-7-5-4-6-8-13)16-15-9-10-17(2)12-15/h4-8,14-16H,3,9-12H2,1-2H3
InChIKeyGEADAQSZHXOSHJ-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.30
Rot. Bonds5

About 1-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine

1-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine (PubChem CID 79007602) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine
PubChem CID79007602
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine
SMILESCCC(Cc1ccccc1)NC1CCN(C)C1
InChIInChI=1S/C15H24N2/c1-3-14(11-13-7-5-4-6-8-13)16-15-9-10-17(2)12-15/h4-8,14-16H,3,9-12H2,1-2H3
InChIKeyGEADAQSZHXOSHJ-UHFFFAOYSA-N
XLogP2.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2-diphenylethyl)-1-methylpyrrolidin-3-amine
CID 61462426
1-benzyl-N-pentan-3-ylpyrrolidin-3-amine
CID 43150638
1-methyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine
CID 61461386
N-(1-phenylbutan-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81296915
3,5-dimethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
CID 79008421
(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine
CID 134939795
N-(1-methylsulfanylbutan-2-yl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 115901640
N-(1-phenylbutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79008757
N-(2-benzylbutyl)-1-methylpiperidin-4-amine
CID 50954737
(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
CID 78985707
3,3,5,5-tetramethyl-N-(1-phenylbutan-2-yl)cyclohexan-1-amine
CID 103965752
N-[1-(4-ethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949870

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine?
The IUPAC name of 1-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine (CID 79007602) is 1-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine is CCC(Cc1ccccc1)NC1CCN(C)C1.
What is the InChIKey of 1-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine?
The InChIKey is GEADAQSZHXOSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-14(11-13-7-5-4-6-8-13)16-15-9-10-17(2)12-15/h4-8,14-16H,3,9-12H2,1-2H3.
What are the key properties of 1-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine?
1-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine has a molecular weight of 232.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 79007602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).