N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine

C11H22N2 — CID 114413245

IUPACN-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
SMILESCCNCC(C)N1CC=C(C)CC1
InChIInChI=1S/C11H22N2/c1-4-12-9-11(3)13-7-5-10(2)6-8-13/h5,11-12H,4,6-9H2,1-3H3
InChIKeyMLXMAHVNXXNHIW-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.64
Rot. Bonds4

About N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine

N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine (PubChem CID 114413245) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
PubChem CID114413245
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
SMILESCCNCC(C)N1CC=C(C)CC1
InChIInChI=1S/C11H22N2/c1-4-12-9-11(3)13-7-5-10(2)6-8-13/h5,11-12H,4,6-9H2,1-3H3
InChIKeyMLXMAHVNXXNHIW-UHFFFAOYSA-N
XLogP1.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-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

Related Compounds

6,10-dimethyl-N-(2-piperazin-1-ylethyl)undeca-5,9-dien-2-amine
CID 659118
(E)-6,10-dimethyl-N-(2-(piperazin-1-yl)ethyl)undeca-5,9-dien-2-amine
CID 5389110
1-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71758631
2-(4-Methyl-1,2,3,6-tetrahydropyridin-1-yl)ethan-1-amine
CID 12700151
2-(4-Methyl-1,2,3,6-tetrahydropyridin-1-yl)ethan-1-amine dihydrochloride
CID 91642775
Pyridine, 3-ethyl-1,2,5,6-tetrahydro-6-methyl-
CID 23423764
2-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71757538
N-[(E)-4-fluorohex-4-en-3-yl]-N'-methyl-N'-propylethane-1,2-diamine
CID 163503304
(2R,3R)-2,3-bis(2-methylprop-1-enyl)piperazine
CID 96014881
(2R,3R)-2,3-bis[(E)-2-methylpent-1-enyl]piperazine
CID 134927425
(2R,3R)-2,3-bis[(1E)-2-methylpenta-1,4-dienyl]piperazine
CID 134993990
2,2,2-trifluoro-N-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]ethanamine
CID 106314826

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine?
The IUPAC name of N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine (CID 114413245) is N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine?
The canonical SMILES for N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine is CCNCC(C)N1CC=C(C)CC1.
What is the InChIKey of N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine?
The InChIKey is MLXMAHVNXXNHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-12-9-11(3)13-7-5-10(2)6-8-13/h5,11-12H,4,6-9H2,1-3H3.
What are the key properties of N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine?
N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine is sourced from PubChem (CID 114413245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).