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

C14H28N2 — CID 114413146

IUPAC2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propylpentan-1-amine
SMILESCCCNCC(CCC)N1CC=C(C)CC1
InChIInChI=1S/C14H28N2/c1-4-6-14(12-15-9-5-2)16-10-7-13(3)8-11-16/h7,14-15H,4-6,8-12H2,1-3H3
InChIKeyMECUZCSADUEKGA-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.81
Rot. Bonds7

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

2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propylpentan-1-amine (PubChem CID 114413146) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propylpentan-1-amine
PubChem CID114413146
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propylpentan-1-amine
SMILESCCCNCC(CCC)N1CC=C(C)CC1
InChIInChI=1S/C14H28N2/c1-4-6-14(12-15-9-5-2)16-10-7-13(3)8-11-16/h7,14-15H,4-6,8-12H2,1-3H3
InChIKeyMECUZCSADUEKGA-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine
CID 114413301
N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
CID 114413245
2-(1,3-dihydroisoindol-2-yl)-N-propylpentan-1-amine
CID 83042303
N-[2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethyl]propan-1-amine
CID 114414310
N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine
CID 114413305
N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]cyclopropanamine
CID 114460805
ethane;4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 166546302
2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylbutan-1-amine
CID 114413363
N-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pentyl]cyclopropanamine
CID 83054427
N,N-diethyl-1-[1-(propylamino)pentan-2-yl]pyrrolidin-3-amine
CID 83055333
2-(3-ethylpiperidin-1-yl)-N-propylpentan-1-amine
CID 83054364
2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid
CID 82364097

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propylpentan-1-amine?
The IUPAC name of 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propylpentan-1-amine (CID 114413146) is 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propylpentan-1-amine?
The canonical SMILES for 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propylpentan-1-amine is CCCNCC(CCC)N1CC=C(C)CC1.
What is the InChIKey of 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propylpentan-1-amine?
The InChIKey is MECUZCSADUEKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-6-14(12-15-9-5-2)16-10-7-13(3)8-11-16/h7,14-15H,4-6,8-12H2,1-3H3.
What are the key properties of 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propylpentan-1-amine?
2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propylpentan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 114413146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).