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

C13H26N2 — CID 103070868

IUPAC2-[(2,5-dimethylpiperidin-1-yl)methyl]-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)CN1CC(C)CCC1C
InChIInChI=1S/C13H26N2/c1-5-14-8-12(3)10-15-9-11(2)6-7-13(15)4/h11,13-14H,3,5-10H2,1-2,4H3
InChIKeySBKOVJZKZMDGHH-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.27
Rot. Bonds5

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

2-[(2,5-dimethylpiperidin-1-yl)methyl]-N-ethylprop-2-en-1-amine (PubChem CID 103070868) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-[(2,5-dimethylpiperidin-1-yl)methyl]-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(2,5-dimethylpiperidin-1-yl)methyl]-N-ethylprop-2-en-1-amine
PubChem CID103070868
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name2-[(2,5-dimethylpiperidin-1-yl)methyl]-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)CN1CC(C)CCC1C
InChIInChI=1S/C13H26N2/c1-5-14-8-12(3)10-15-9-11(2)6-7-13(15)4/h11,13-14H,3,5-10H2,1-2,4H3
InChIKeySBKOVJZKZMDGHH-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2,5-dimethylpiperidin-1-yl)methyl]-N-ethylprop-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

N-[2-[(2,5-dimethylpiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine
CID 103070872
2-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylprop-2-en-1-amine
CID 103070608
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-ethylprop-2-en-1-amine
CID 103070194
2-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine
CID 103068925
2-[(2,4-dimethylpyrrolidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103071356
2-[2-(ethylaminomethyl)prop-2-enyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103071209
1-butyl-2,5-dimethylpiperidine
CID 130702123
1-[2-(ethylaminomethyl)prop-2-enyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 103072675
N-ethyl-2-[(3-propoxypiperidin-1-yl)methyl]prop-2-en-1-amine
CID 103069920
2-[4-[(2,5-dimethylpiperidin-1-yl)methyl]phenyl]-N-ethylethanamine
CID 105347896
[3-methyl-1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol
CID 103071455
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine
CID 103068847

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylpiperidin-1-yl)methyl]-N-ethylprop-2-en-1-amine?
The IUPAC name of 2-[(2,5-dimethylpiperidin-1-yl)methyl]-N-ethylprop-2-en-1-amine (CID 103070868) is 2-[(2,5-dimethylpiperidin-1-yl)methyl]-N-ethylprop-2-en-1-amine.
What is the SMILES notation for 2-[(2,5-dimethylpiperidin-1-yl)methyl]-N-ethylprop-2-en-1-amine?
The canonical SMILES for 2-[(2,5-dimethylpiperidin-1-yl)methyl]-N-ethylprop-2-en-1-amine is C=C(CNCC)CN1CC(C)CCC1C.
What is the InChIKey of 2-[(2,5-dimethylpiperidin-1-yl)methyl]-N-ethylprop-2-en-1-amine?
The InChIKey is SBKOVJZKZMDGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-5-14-8-12(3)10-15-9-11(2)6-7-13(15)4/h11,13-14H,3,5-10H2,1-2,4H3.
What are the key properties of 2-[(2,5-dimethylpiperidin-1-yl)methyl]-N-ethylprop-2-en-1-amine?
2-[(2,5-dimethylpiperidin-1-yl)methyl]-N-ethylprop-2-en-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylpiperidin-1-yl)methyl]-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 103070868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).