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

C14H28N2 — CID 114413363

IUPAC2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylbutan-1-amine
SMILESCC1=CCN(C(C)C(C)CNC(C)C)CC1
InChIInChI=1S/C14H28N2/c1-11(2)15-10-13(4)14(5)16-8-6-12(3)7-9-16/h6,11,13-15H,7-10H2,1-5H3
InChIKeyQWLXACNSBLGQFO-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.66
Rot. Bonds5

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

2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylbutan-1-amine (PubChem CID 114413363) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylbutan-1-amine
PubChem CID114413363
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylbutan-1-amine
SMILESCC1=CCN(C(C)C(C)CNC(C)C)CC1
InChIInChI=1S/C14H28N2/c1-11(2)15-10-13(4)14(5)16-8-6-12(3)7-9-16/h6,11,13-15H,7-10H2,1-5H3
InChIKeyQWLXACNSBLGQFO-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylbutan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine
CID 114413331
ethane;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 166546302
N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
CID 114413245
N-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine
CID 114413301
2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propylpentan-1-amine
CID 114413146
3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79409918
N,N-dimethyl-1-[3-methyl-4-(propan-2-ylamino)butan-2-yl]piperidin-4-amine
CID 79409671
3-(3,3-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79408655
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79408748
2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid
CID 82364097
3-(2,2-dimethylmorpholin-4-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79408711
2-methyl-N-propan-2-yl-3-(2-propan-2-ylpyrrolidin-1-yl)butan-1-amine
CID 79408560

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylbutan-1-amine (CID 114413363) is 2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylbutan-1-amine is CC1=CCN(C(C)C(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-ylbutan-1-amine?
The InChIKey is QWLXACNSBLGQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(2)15-10-13(4)14(5)16-8-6-12(3)7-9-16/h6,11,13-15H,7-10H2,1-5H3.
What are the key properties of 2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylbutan-1-amine?
2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylbutan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.66, 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-ylbutan-1-amine is sourced from PubChem (CID 114413363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).