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

C12H17N3 — CID 114412650

IUPAC[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanamine
SMILESCC1=CCN(c2ccnc(CN)c2)CC1
InChIInChI=1S/C12H17N3/c1-10-3-6-15(7-4-10)12-2-5-14-11(8-12)9-13/h2-3,5,8H,4,6-7,9,13H2,1H3
InChIKeyNTPAYPZAKRBCHT-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.70
Rot. Bonds2

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

[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanamine (PubChem CID 114412650) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is [4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanamine
PubChem CID114412650
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanamine
SMILESCC1=CCN(c2ccnc(CN)c2)CC1
InChIInChI=1S/C12H17N3/c1-10-3-6-15(7-4-10)12-2-5-14-11(8-12)9-13/h2-3,5,8H,4,6-7,9,13H2,1H3
InChIKeyNTPAYPZAKRBCHT-UHFFFAOYSA-N
XLogP1.70
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.70
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 [4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanamine?
The IUPAC name of [4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanamine (CID 114412650) is [4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanamine?
The canonical SMILES for [4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanamine is CC1=CCN(c2ccnc(CN)c2)CC1.
What is the InChIKey of [4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanamine?
The InChIKey is NTPAYPZAKRBCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-10-3-6-15(7-4-10)12-2-5-14-11(8-12)9-13/h2-3,5,8H,4,6-7,9,13H2,1H3.
What are the key properties of [4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanamine?
[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanamine has a molecular weight of 203.29 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 114412650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).