N-prop-2-enyl-2-(4-propylpiperidin-1-yl)propan-1-amine

C14H28N2 — CID 62570668

IUPACN-prop-2-enyl-2-(4-propylpiperidin-1-yl)propan-1-amine
SMILESC=CCNCC(C)N1CCC(CCC)CC1
InChIInChI=1S/C14H28N2/c1-4-6-14-7-10-16(11-8-14)13(3)12-15-9-5-2/h5,13-15H,2,4,6-12H2,1,3H3
InChIKeyYCKWGIRPHSNWPB-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.66
Rot. Bonds7

About N-prop-2-enyl-2-(4-propylpiperidin-1-yl)propan-1-amine

N-prop-2-enyl-2-(4-propylpiperidin-1-yl)propan-1-amine (PubChem CID 62570668) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-prop-2-enyl-2-(4-propylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-prop-2-enyl-2-(4-propylpiperidin-1-yl)propan-1-amine
PubChem CID62570668
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-prop-2-enyl-2-(4-propylpiperidin-1-yl)propan-1-amine
SMILESC=CCNCC(C)N1CCC(CCC)CC1
InChIInChI=1S/C14H28N2/c1-4-6-14-7-10-16(11-8-14)13(3)12-15-9-5-2/h5,13-15H,2,4,6-12H2,1,3H3
InChIKeyYCKWGIRPHSNWPB-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-prop-2-enyl-2-(4-propylpiperidin-1-yl)propan-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

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-(4-propylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N-prop-2-enyl-2-(4-propylpiperidin-1-yl)propan-1-amine (CID 62570668) is N-prop-2-enyl-2-(4-propylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-prop-2-enyl-2-(4-propylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-prop-2-enyl-2-(4-propylpiperidin-1-yl)propan-1-amine is C=CCNCC(C)N1CCC(CCC)CC1.
What is the InChIKey of N-prop-2-enyl-2-(4-propylpiperidin-1-yl)propan-1-amine?
The InChIKey is YCKWGIRPHSNWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-6-14-7-10-16(11-8-14)13(3)12-15-9-5-2/h5,13-15H,2,4,6-12H2,1,3H3.
What are the key properties of N-prop-2-enyl-2-(4-propylpiperidin-1-yl)propan-1-amine?
N-prop-2-enyl-2-(4-propylpiperidin-1-yl)propan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-(4-propylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 62570668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).