3-(5-methyl-3-pyridinyl)-N-propan-2-ylpropan-1-amine

C12H20N2 — CID 115375282

IUPAC3-(5-methyl-3-pyridinyl)-N-propan-2-ylpropan-1-amine
SMILESCc1cncc(CCCNC(C)C)c1
InChIInChI=1S/C12H20N2/c1-10(2)14-6-4-5-12-7-11(3)8-13-9-12/h7-10,14H,4-6H2,1-3H3
InChIKeyNYCZJMFSEKTLKM-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.32
Rot. Bonds5

About 3-(5-methyl-3-pyridinyl)-N-propan-2-ylpropan-1-amine

3-(5-methyl-3-pyridinyl)-N-propan-2-ylpropan-1-amine (PubChem CID 115375282) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-(5-methyl-3-pyridinyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(5-methyl-3-pyridinyl)-N-propan-2-ylpropan-1-amine
PubChem CID115375282
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-(5-methyl-3-pyridinyl)-N-propan-2-ylpropan-1-amine
SMILESCc1cncc(CCCNC(C)C)c1
InChIInChI=1S/C12H20N2/c1-10(2)14-6-4-5-12-7-11(3)8-13-9-12/h7-10,14H,4-6H2,1-3H3
InChIKeyNYCZJMFSEKTLKM-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
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

3-[(5-methyl-3-pyridinyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 102877253
2-methyl-N-[2-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 115375189
4-(5-methyl-3-pyridinyl)-N-propylbutan-2-amine
CID 115375289
N-methyl-2-(5-methyl-3-pyridinyl)ethanamine
CID 82594770
N-ethyl-2-(5-methyl-3-pyridinyl)ethanamine
CID 115375184
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
4,4-dimethyl-1-(5-methyl-3-pyridinyl)-N-propylpentan-3-amine
CID 115375309
6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine
CID 65308626
(2S)-2-[(5-methyl-3-pyridinyl)methylamino]propan-1-ol
CID 167984285
ethane;3-[4-(4-fluorophenyl)butyl]-5-methylpyridine
CID 145472925
(1S)-1-cyclopentyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880981
2-(5-methyl-3-pyridinyl)-4-(propan-2-ylamino)butan-2-ol
CID 115375573

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-3-pyridinyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(5-methyl-3-pyridinyl)-N-propan-2-ylpropan-1-amine (CID 115375282) is 3-(5-methyl-3-pyridinyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(5-methyl-3-pyridinyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(5-methyl-3-pyridinyl)-N-propan-2-ylpropan-1-amine is Cc1cncc(CCCNC(C)C)c1.
What is the InChIKey of 3-(5-methyl-3-pyridinyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is NYCZJMFSEKTLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-10(2)14-6-4-5-12-7-11(3)8-13-9-12/h7-10,14H,4-6H2,1-3H3.
What are the key properties of 3-(5-methyl-3-pyridinyl)-N-propan-2-ylpropan-1-amine?
3-(5-methyl-3-pyridinyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 192.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-3-pyridinyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 115375282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).