2-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine

C14H28N2 — CID 103068925

IUPAC2-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)CN1CC(C)CC(C)C1
InChIInChI=1S/C14H28N2/c1-5-6-15-8-14(4)11-16-9-12(2)7-13(3)10-16/h12-13,15H,4-11H2,1-3H3
InChIKeyRTJXEUIBJDDIBA-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.52
Rot. Bonds6

About 2-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine

2-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine (PubChem CID 103068925) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine
PubChem CID103068925
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)CN1CC(C)CC(C)C1
InChIInChI=1S/C14H28N2/c1-5-6-15-8-14(4)11-16-9-12(2)7-13(3)10-16/h12-13,15H,4-11H2,1-3H3
InChIKeyRTJXEUIBJDDIBA-UHFFFAOYSA-N
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.52
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 2-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-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

Methyl((1-methylpiperidin-3-yl)methyl)amine
CID 16640588
N,N-Dimethyl-1-piperidin-3-ylmethanamine
CID 16768076
Diethyl-piperidin-3-ylmethyl-amine
CID 6484181
N-methyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
CID 103070854
N-propan-2-yl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
CID 103070855
N-ethyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
CID 103070856
2-[[3-(Trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
CID 103070857
N-tert-butyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
CID 103070858
N-methyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
CID 103070860
N-propyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
CID 103070864
N-propyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
CID 113771680
N-ethyl-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]prop-2-en-1-amine
CID 113771681

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine?
The IUPAC name of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine (CID 103068925) is 2-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine is C=C(CNCCC)CN1CC(C)CC(C)C1.
What is the InChIKey of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine?
The InChIKey is RTJXEUIBJDDIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-6-15-8-14(4)11-16-9-12(2)7-13(3)10-16/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine?
2-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine is sourced from PubChem (CID 103068925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).