3-methyl-N-propyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine

C16H33N3 — CID 63167252

IUPAC3-methyl-N-propyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine
SMILESCCCNCC(C(C)C)N1CCC(N2CCCC2)C1
InChIInChI=1S/C16H33N3/c1-4-8-17-12-16(14(2)3)19-11-7-15(13-19)18-9-5-6-10-18/h14-17H,4-13H2,1-3H3
InChIKeyOITGUFVTOCDEKU-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds7

About 3-methyl-N-propyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine

3-methyl-N-propyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine (PubChem CID 63167252) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 3-methyl-N-propyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine
PubChem CID63167252
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name3-methyl-N-propyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine
SMILESCCCNCC(C(C)C)N1CCC(N2CCCC2)C1
InChIInChI=1S/C16H33N3/c1-4-8-17-12-16(14(2)3)19-11-7-15(13-19)18-9-5-6-10-18/h14-17H,4-13H2,1-3H3
InChIKeyOITGUFVTOCDEKU-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-N-propyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-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

3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylbutan-1-amine
CID 79170163
N-[3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butyl]cyclopropanamine
CID 63167031
N-ethyl-3-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine
CID 63167734
2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 63167437
N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 64706614
2-(3,4-dimethylpiperazin-1-yl)-3-methyl-N-propylbutan-1-amine
CID 63621134
3-methyl-2-(2-methylpiperidin-1-yl)-N-propylbutan-1-amine
CID 62438112
(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
CID 130210207
3-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)propyl]butan-1-amine
CID 62569572
3-amino-4-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-ol
CID 114357229
1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
CID 58850224
3-methyl-N-(3-methylbutyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 43207801

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine?
The IUPAC name of 3-methyl-N-propyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine (CID 63167252) is 3-methyl-N-propyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine?
The canonical SMILES for 3-methyl-N-propyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine is CCCNCC(C(C)C)N1CCC(N2CCCC2)C1.
What is the InChIKey of 3-methyl-N-propyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine?
The InChIKey is OITGUFVTOCDEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-8-17-12-16(14(2)3)19-11-7-15(13-19)18-9-5-6-10-18/h14-17H,4-13H2,1-3H3.
What are the key properties of 3-methyl-N-propyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine?
3-methyl-N-propyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine is sourced from PubChem (CID 63167252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).