1-(4-amino-4-phenylbutyl)-N,N-diethylpyrrolidin-3-amine

C18H31N3 — CID 63321943

IUPAC1-(4-amino-4-phenylbutyl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CCCC(N)c2ccccc2)C1
InChIInChI=1S/C18H31N3/c1-3-21(4-2)17-12-14-20(15-17)13-8-11-18(19)16-9-6-5-7-10-16/h5-7,9-10,17-18H,3-4,8,11-15,19H2,1-2H3
InChIKeyTUQBOGATQRHQPE-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.88
Rot. Bonds8

About 1-(4-amino-4-phenylbutyl)-N,N-diethylpyrrolidin-3-amine

1-(4-amino-4-phenylbutyl)-N,N-diethylpyrrolidin-3-amine (PubChem CID 63321943) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-(4-amino-4-phenylbutyl)-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-amino-4-phenylbutyl)-N,N-diethylpyrrolidin-3-amine
PubChem CID63321943
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-(4-amino-4-phenylbutyl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CCCC(N)c2ccccc2)C1
InChIInChI=1S/C18H31N3/c1-3-21(4-2)17-12-14-20(15-17)13-8-11-18(19)16-9-6-5-7-10-16/h5-7,9-10,17-18H,3-4,8,11-15,19H2,1-2H3
InChIKeyTUQBOGATQRHQPE-UHFFFAOYSA-N
XLogP2.88
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-amino-4-phenylbutyl)-N,N-diethylpyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-amine
CID 79037843
4-(3-ethoxypiperidin-1-yl)-1-phenylbutan-1-amine
CID 63322069
N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylbutane-1,4-diamine
CID 63321929
(3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66567005
4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-amine
CID 55205489
1-[2-amino-2-(4-methoxyphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63169686
3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-ol
CID 63164582
N,N-diethyl-1-[4-(methylamino)hexyl]pyrrolidin-3-amine
CID 106799808
N,N-diethyl-1-[5-(ethylamino)hexyl]pyrrolidin-3-amine
CID 63169734
N,N-diethyl-1-[3-(methylamino)propyl]pyrrolidin-3-amine
CID 63164683
1-[[4-(aminomethyl)phenyl]methyl]-N,N-diethylpyrrolidin-3-amine
CID 63166878
1-(3-bromophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]ethanol
CID 111490042

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-4-phenylbutyl)-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-(4-amino-4-phenylbutyl)-N,N-diethylpyrrolidin-3-amine (CID 63321943) is 1-(4-amino-4-phenylbutyl)-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(4-amino-4-phenylbutyl)-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-(4-amino-4-phenylbutyl)-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(CCCC(N)c2ccccc2)C1.
What is the InChIKey of 1-(4-amino-4-phenylbutyl)-N,N-diethylpyrrolidin-3-amine?
The InChIKey is TUQBOGATQRHQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-3-21(4-2)17-12-14-20(15-17)13-8-11-18(19)16-9-6-5-7-10-16/h5-7,9-10,17-18H,3-4,8,11-15,19H2,1-2H3.
What are the key properties of 1-(4-amino-4-phenylbutyl)-N,N-diethylpyrrolidin-3-amine?
1-(4-amino-4-phenylbutyl)-N,N-diethylpyrrolidin-3-amine has a molecular weight of 289.47 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-4-phenylbutyl)-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 63321943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).