[1-propan-2-yl-3-(4-propylpiperidin-1-yl)pyrrolidin-3-yl]methanamine

C16H33N3 — CID 62199436

IUPAC[1-propan-2-yl-3-(4-propylpiperidin-1-yl)pyrrolidin-3-yl]methanamine
SMILESCCCC1CCN(C2(CN)CCN(C(C)C)C2)CC1
InChIInChI=1S/C16H33N3/c1-4-5-15-6-9-19(10-7-15)16(12-17)8-11-18(13-16)14(2)3/h14-15H,4-13,17H2,1-3H3
InChIKeyLDPNCCZGLWDUHA-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.31
Rot. Bonds5

About [1-propan-2-yl-3-(4-propylpiperidin-1-yl)pyrrolidin-3-yl]methanamine

[1-propan-2-yl-3-(4-propylpiperidin-1-yl)pyrrolidin-3-yl]methanamine (PubChem CID 62199436) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is [1-propan-2-yl-3-(4-propylpiperidin-1-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-propan-2-yl-3-(4-propylpiperidin-1-yl)pyrrolidin-3-yl]methanamine
PubChem CID62199436
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name[1-propan-2-yl-3-(4-propylpiperidin-1-yl)pyrrolidin-3-yl]methanamine
SMILESCCCC1CCN(C2(CN)CCN(C(C)C)C2)CC1
InChIInChI=1S/C16H33N3/c1-4-5-15-6-9-19(10-7-15)16(12-17)8-11-18(13-16)14(2)3/h14-15H,4-13,17H2,1-3H3
InChIKeyLDPNCCZGLWDUHA-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-propan-2-yl-3-(4-propylpiperidin-1-yl)pyrrolidin-3-yl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-propan-2-yl-3-(4-propylpiperidin-1-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-propan-2-yl-3-(4-propylpiperidin-1-yl)pyrrolidin-3-yl]methanamine (CID 62199436) is [1-propan-2-yl-3-(4-propylpiperidin-1-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-propan-2-yl-3-(4-propylpiperidin-1-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-propan-2-yl-3-(4-propylpiperidin-1-yl)pyrrolidin-3-yl]methanamine is CCCC1CCN(C2(CN)CCN(C(C)C)C2)CC1.
What is the InChIKey of [1-propan-2-yl-3-(4-propylpiperidin-1-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is LDPNCCZGLWDUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-5-15-6-9-19(10-7-15)16(12-17)8-11-18(13-16)14(2)3/h14-15H,4-13,17H2,1-3H3.
What are the key properties of [1-propan-2-yl-3-(4-propylpiperidin-1-yl)pyrrolidin-3-yl]methanamine?
[1-propan-2-yl-3-(4-propylpiperidin-1-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 267.46 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-propan-2-yl-3-(4-propylpiperidin-1-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62199436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).