N-methyl-4-(2-methyl-3,4-dihydropyridin-5-yl)butan-1-amine

C11H20N2 — CID 177319953

IUPACN-methyl-4-(2-methyl-3,4-dihydropyridin-5-yl)butan-1-amine
SMILESCNCCCCC1=CN=C(C)CC1
InChIInChI=1S/C11H20N2/c1-10-6-7-11(9-13-10)5-3-4-8-12-2/h9,12H,3-8H2,1-2H3
InChIKeyXBLFQXDXDRYDTA-UHFFFAOYSA-N
MW180.30 g/mol
LogP2.51
Rot. Bonds5

About N-methyl-4-(2-methyl-3,4-dihydropyridin-5-yl)butan-1-amine

N-methyl-4-(2-methyl-3,4-dihydropyridin-5-yl)butan-1-amine (PubChem CID 177319953) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is N-methyl-4-(2-methyl-3,4-dihydropyridin-5-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methyl-3,4-dihydropyridin-5-yl)butan-1-amine
PubChem CID177319953
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC NameN-methyl-4-(2-methyl-3,4-dihydropyridin-5-yl)butan-1-amine
SMILESCNCCCCC1=CN=C(C)CC1
InChIInChI=1S/C11H20N2/c1-10-6-7-11(9-13-10)5-3-4-8-12-2/h9,12H,3-8H2,1-2H3
InChIKeyXBLFQXDXDRYDTA-UHFFFAOYSA-N
XLogP2.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-butyl-5-methylidene-3,4-dihydro-2H-pyridin-1-ium
CID 101952094
2-Butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine
CID 56626073
N,N-diethyl-3-(3-imino-1,5-dimethyl-2,4-dihydropyridin-2-yl)propan-1-amine
CID 56633612
(1S)-N-methyl-1-(4-methyl-3H-pyrrol-2-yl)ethanamine
CID 58426938
(1R)-N-methyl-1-(4-methyl-3H-pyrrol-2-yl)ethanamine
CID 58426953
2-(1,2,3,4-Tetrahydropyridin-5-yl)-2,3,4,5-tetrahydropyridine
CID 91440913
N,8,8-trimethyl-3-methylidene-6-methyliminononan-1-amine
CID 130462323
1-(3,4-dihydropyridin-5-yl)-N-methylpropan-1-amine
CID 142884393
2-methyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-b]azepine
CID 142943251
(Z)-2-(2,3,4,5-tetrahydropyridin-6-yl)prop-1-en-1-amine
CID 143071545
2-(3,4-dihydropyridin-5-yl)-N-methylethanamine;3-methylbuta-1,2-diene;molecular hydrogen;hydrobromide
CID 143587088
ethane;N-ethyl-1-(5-methyl-3,4-dihydropyridin-2-yl)ethenamine
CID 144086778

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methyl-3,4-dihydropyridin-5-yl)butan-1-amine?
The IUPAC name of N-methyl-4-(2-methyl-3,4-dihydropyridin-5-yl)butan-1-amine (CID 177319953) is N-methyl-4-(2-methyl-3,4-dihydropyridin-5-yl)butan-1-amine.
What is the SMILES notation for N-methyl-4-(2-methyl-3,4-dihydropyridin-5-yl)butan-1-amine?
The canonical SMILES for N-methyl-4-(2-methyl-3,4-dihydropyridin-5-yl)butan-1-amine is CNCCCCC1=CN=C(C)CC1.
What is the InChIKey of N-methyl-4-(2-methyl-3,4-dihydropyridin-5-yl)butan-1-amine?
The InChIKey is XBLFQXDXDRYDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10-6-7-11(9-13-10)5-3-4-8-12-2/h9,12H,3-8H2,1-2H3.
What are the key properties of N-methyl-4-(2-methyl-3,4-dihydropyridin-5-yl)butan-1-amine?
N-methyl-4-(2-methyl-3,4-dihydropyridin-5-yl)butan-1-amine has a molecular weight of 180.30 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methyl-3,4-dihydropyridin-5-yl)butan-1-amine is sourced from PubChem (CID 177319953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).