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

C11H22N2 — CID 117205763

IUPACN-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine
SMILESCNCCCCC1=CCN(C)CC1
InChIInChI=1S/C11H22N2/c1-12-8-4-3-5-11-6-9-13(2)10-7-11/h6,12H,3-5,7-10H2,1-2H3
InChIKeyMCPHSXGQQMGDMY-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.64
Rot. Bonds5

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

N-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine (PubChem CID 117205763) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine
PubChem CID117205763
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine
SMILESCNCCCCC1=CCN(C)CC1
InChIInChI=1S/C11H22N2/c1-12-8-4-3-5-11-6-9-13(2)10-7-11/h6,12H,3-5,7-10H2,1-2H3
InChIKeyMCPHSXGQQMGDMY-UHFFFAOYSA-N
XLogP1.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine
CID 117205765
ethane;4-ethyl-1-methyl-3,6-dihydro-2H-pyridine
CID 144868102
5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpentan-1-amine
CID 114413427
N-methyl-N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]propanamide
CID 134570618
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)acetaldehyde
CID 57288665
1-methyl-4-[(2-methylphenyl)methyl]-3,6-dihydro-2H-pyridine
CID 14743021
(E)-4-(dimethylamino)-N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]but-2-enamide
CID 146097624
N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]thietan-3-amine
CID 130841585
5-ethyl-1-methyl-2,3,4,7-tetrahydroazepine
CID 123370183
1-methyl-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972002
2-(4-methoxyphenyl)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-ol
CID 574332
N-methyl-4-(4-pyrrolidin-1-ylphenyl)butan-1-amine
CID 112518014

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine?
The IUPAC name of N-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine (CID 117205763) is N-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine.
What is the SMILES notation for N-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine?
The canonical SMILES for N-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine is CNCCCCC1=CCN(C)CC1.
What is the InChIKey of N-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine?
The InChIKey is MCPHSXGQQMGDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-12-8-4-3-5-11-6-9-13(2)10-7-11/h6,12H,3-5,7-10H2,1-2H3.
What are the key properties of N-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine?
N-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)butan-1-amine is sourced from PubChem (CID 117205763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).