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

C13H26N2 — CID 114413331

IUPAC2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine
SMILESCC1=CCN(CC(C)CNC(C)C)CC1
InChIInChI=1S/C13H26N2/c1-11(2)14-9-13(4)10-15-7-5-12(3)6-8-15/h5,11,13-14H,6-10H2,1-4H3
InChIKeyMWKQRAZBRYXASD-UHFFFAOYSA-N
MW210.37 g/mol
LogP2.27
Rot. Bonds5

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

2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 114413331) has the molecular formula C13H26N2 and a molecular weight of 210.37 g/mol. Its IUPAC name is 2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine
PubChem CID114413331
Molecular FormulaC13H26N2
Molecular Weight210.37 g/mol
Exact Mass210.21
IUPAC Name2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine
SMILESCC1=CCN(CC(C)CNC(C)C)CC1
InChIInChI=1S/C13H26N2/c1-11(2)14-9-13(4)10-15-7-5-12(3)6-8-15/h5,11,13-14H,6-10H2,1-4H3
InChIKeyMWKQRAZBRYXASD-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 ≤ 500210.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine
CID 114413272
3-(3,6-dihydro-2H-pyridin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 114413093
2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylbutan-1-amine
CID 114413363
N-[[4-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 114413229
1-amino-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-ol
CID 114460118
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62439650
1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine
CID 114410731
N-[[5-methyl-4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 114413222
4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 114413207
3-(4,4-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62931692
1-(4-aminophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanol
CID 114462451
4-methyl-1-[(1-methylcyclobutyl)methyl]-3,6-dihydro-2H-pyridine
CID 126993800

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine (CID 114413331) is 2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine is CC1=CCN(CC(C)CNC(C)C)CC1.
What is the InChIKey of 2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is MWKQRAZBRYXASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-11(2)14-9-13(4)10-15-7-5-12(3)6-8-15/h5,11,13-14H,6-10H2,1-4H3.
What are the key properties of 2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine?
2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 210.37 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-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 114413331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).