[6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanamine

C13H19N3 — CID 114412721

IUPAC[6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanamine
SMILESCC1=CCN(c2cc(C)ncc2CN)CC1
InChIInChI=1S/C13H19N3/c1-10-3-5-16(6-4-10)13-7-11(2)15-9-12(13)8-14/h3,7,9H,4-6,8,14H2,1-2H3
InChIKeySITQNCDNVTYHAJ-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.01
Rot. Bonds2

About [6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanamine

[6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanamine (PubChem CID 114412721) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is [6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanamine
PubChem CID114412721
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name[6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanamine
SMILESCC1=CCN(c2cc(C)ncc2CN)CC1
InChIInChI=1S/C13H19N3/c1-10-3-5-16(6-4-10)13-7-11(2)15-9-12(13)8-14/h3,7,9H,4-6,8,14H2,1-2H3
InChIKeySITQNCDNVTYHAJ-UHFFFAOYSA-N
XLogP2.01
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanamine?
The IUPAC name of [6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanamine (CID 114412721) is [6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanamine is CC1=CCN(c2cc(C)ncc2CN)CC1.
What is the InChIKey of [6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanamine?
The InChIKey is SITQNCDNVTYHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-10-3-5-16(6-4-10)13-7-11(2)15-9-12(13)8-14/h3,7,9H,4-6,8,14H2,1-2H3.
What are the key properties of [6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanamine?
[6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanamine has a molecular weight of 217.32 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 114412721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).