2-methyl-N-[2-(5-methyl-3-pyridinyl)ethyl]propan-1-amine

C12H20N2 — CID 115375189

IUPAC2-methyl-N-[2-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCc1cncc(CCNCC(C)C)c1
InChIInChI=1S/C12H20N2/c1-10(2)7-13-5-4-12-6-11(3)8-14-9-12/h6,8-10,13H,4-5,7H2,1-3H3
InChIKeyWDPYJSGAKICEHD-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.18
Rot. Bonds5

About 2-methyl-N-[2-(5-methyl-3-pyridinyl)ethyl]propan-1-amine

2-methyl-N-[2-(5-methyl-3-pyridinyl)ethyl]propan-1-amine (PubChem CID 115375189) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-methyl-N-[2-(5-methyl-3-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
PubChem CID115375189
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-methyl-N-[2-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
SMILESCc1cncc(CCNCC(C)C)c1
InChIInChI=1S/C12H20N2/c1-10(2)7-13-5-4-12-6-11(3)8-14-9-12/h6,8-10,13H,4-5,7H2,1-3H3
InChIKeyWDPYJSGAKICEHD-UHFFFAOYSA-N
XLogP2.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.18
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

N-ethyl-2-(5-methyl-3-pyridinyl)ethanamine
CID 115375184
N-methyl-2-(5-methyl-3-pyridinyl)ethanamine
CID 82594770
2-methyl-N-[2-(5-methylthiophen-3-yl)ethyl]propan-1-amine
CID 65104535
3-(5-methyl-3-pyridinyl)-N-propan-2-ylpropan-1-amine
CID 115375282
4-(5-methyl-3-pyridinyl)-N-propylbutan-2-amine
CID 115375289
2-methyl-N-[2-(4-methylphenyl)ethyl]propan-1-amine
CID 60983758
2-methyl-N-(2-quinolin-3-ylethyl)propan-1-amine
CID 62603664
2-methyl-N-[[2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
CID 102880419
2-(3-methylbutoxy)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880820
N-[2-(3-fluoro-4-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 64866859
(2S)-1-(5-methyl-3-pyridinyl)propan-2-ol
CID 75406793
2-methyl-N-[3-(3-methylphenyl)propyl]propan-1-amine
CID 62367422

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(5-methyl-3-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-(5-methyl-3-pyridinyl)ethyl]propan-1-amine (CID 115375189) is 2-methyl-N-[2-(5-methyl-3-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(5-methyl-3-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(5-methyl-3-pyridinyl)ethyl]propan-1-amine is Cc1cncc(CCNCC(C)C)c1.
What is the InChIKey of 2-methyl-N-[2-(5-methyl-3-pyridinyl)ethyl]propan-1-amine?
The InChIKey is WDPYJSGAKICEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-10(2)7-13-5-4-12-6-11(3)8-14-9-12/h6,8-10,13H,4-5,7H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(5-methyl-3-pyridinyl)ethyl]propan-1-amine?
2-methyl-N-[2-(5-methyl-3-pyridinyl)ethyl]propan-1-amine has a molecular weight of 192.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(5-methyl-3-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 115375189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).