N-methyl-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine

C11H22N2 — CID 106316730

IUPACN-methyl-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine
SMILESCNCCC(C)N1CCC=C(C)C1
InChIInChI=1S/C11H22N2/c1-10-5-4-8-13(9-10)11(2)6-7-12-3/h5,11-12H,4,6-9H2,1-3H3
InChIKeyYOYWSQCFQDHCAZ-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.64
Rot. Bonds4

About N-methyl-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine

N-methyl-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine (PubChem CID 106316730) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-methyl-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine
PubChem CID106316730
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-methyl-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine
SMILESCNCCC(C)N1CCC=C(C)C1
InChIInChI=1S/C11H22N2/c1-10-5-4-8-13(9-10)11(2)6-7-12-3/h5,11-12H,4,6-9H2,1-3H3
InChIKeyYOYWSQCFQDHCAZ-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'}

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Related Compounds

2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
N,N-dimethyl-1-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanamine
CID 44343928
N'-(3,7-dimethylocta-2,6-dienyl)propane-1,3-diamine
CID 123140737
(2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2063692
6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
1-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71758631
Pyridine, 1,2,5,6-tetrahydro-4,6-dimethyl-
CID 23423762
2-(4-Methyl-1,2,3,6-tetrahydropyridin-1-yl)ethan-1-amine
CID 12700151
6-Methyl-2-propylamino-5-heptene
CID 12541942
(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
CID 1272098
2,6-Bis-(2-methyl-allyl)-1,2,3,6-tetrahydro-pyridine
CID 3123936
(2S,6R)-2,6-bis(2-methylprop-2-enyl)-1,2,5,6-tetrahydropyridine
CID 7175881

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine?
The IUPAC name of N-methyl-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine (CID 106316730) is N-methyl-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine.
What is the SMILES notation for N-methyl-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine?
The canonical SMILES for N-methyl-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine is CNCCC(C)N1CCC=C(C)C1.
What is the InChIKey of N-methyl-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine?
The InChIKey is YOYWSQCFQDHCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10-5-4-8-13(9-10)11(2)6-7-12-3/h5,11-12H,4,6-9H2,1-3H3.
What are the key properties of N-methyl-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine?
N-methyl-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-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-methyl-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-amine is sourced from PubChem (CID 106316730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).