2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine

C12H26N2 — CID 115876275

IUPAC2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
SMILESCC(C)CNCCC1CCN(C)CC1
InChIInChI=1S/C12H26N2/c1-11(2)10-13-7-4-12-5-8-14(3)9-6-12/h11-13H,4-10H2,1-3H3
InChIKeyFTZCEVTUYNUYGW-UHFFFAOYSA-N
MW198.35 g/mol
LogP1.96
Rot. Bonds5

About 2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine

2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine (PubChem CID 115876275) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
PubChem CID115876275
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
SMILESCC(C)CNCCC1CCN(C)CC1
InChIInChI=1S/C12H26N2/c1-11(2)10-13-7-4-12-5-8-14(3)9-6-12/h11-13H,4-10H2,1-3H3
InChIKeyFTZCEVTUYNUYGW-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]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

Related Compounds

2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentan-1-amine
CID 114200185
[2-(1-methylpiperidin-4-yl)ethylamino]methanol
CID 115229407
N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515255
2-methyl-N-[2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine
CID 62437822
2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol
CID 115224308
2,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethylamino]butan-2-ol
CID 114515594
3-methyl-2-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]butan-1-ol
CID 115252234
2-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]propan-1-amine
CID 62442619
N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(propylamino)propane-2-sulfonamide
CID 106082678
2-(1-methylpiperidin-4-yl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132495
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
N-(dicyclopropylmethyl)-2-(1-methylpiperidin-4-yl)ethanamine
CID 115717378

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine (CID 115876275) is 2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine is CC(C)CNCCC1CCN(C)CC1.
What is the InChIKey of 2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine?
The InChIKey is FTZCEVTUYNUYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2)10-13-7-4-12-5-8-14(3)9-6-12/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine?
2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115876275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).