N-(3,4-dihydropyridin-2-ylmethyl)-1-(1,2,3,6-tetrahydropyridin-6-yl)methanamine

C12H19N3 — CID 70991342

IUPACN-(3,4-dihydropyridin-2-ylmethyl)-1-(1,2,3,6-tetrahydropyridin-6-yl)methanamine
SMILESC1=CC(CNCC2=NC=CCC2)NCC1
InChIInChI=1S/C12H19N3/c1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12/h1,4-5,8,11,13-14H,2-3,6-7,9-10H2
InChIKeyIUOXZWJRVCZVGY-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.24
Rot. Bonds4

About N-(3,4-dihydropyridin-2-ylmethyl)-1-(1,2,3,6-tetrahydropyridin-6-yl)methanamine

N-(3,4-dihydropyridin-2-ylmethyl)-1-(1,2,3,6-tetrahydropyridin-6-yl)methanamine (PubChem CID 70991342) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N-(3,4-dihydropyridin-2-ylmethyl)-1-(1,2,3,6-tetrahydropyridin-6-yl)methanamine.

Molecular Properties

Compound NameN-(3,4-dihydropyridin-2-ylmethyl)-1-(1,2,3,6-tetrahydropyridin-6-yl)methanamine
PubChem CID70991342
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN-(3,4-dihydropyridin-2-ylmethyl)-1-(1,2,3,6-tetrahydropyridin-6-yl)methanamine
SMILESC1=CC(CNCC2=NC=CCC2)NCC1
InChIInChI=1S/C12H19N3/c1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12/h1,4-5,8,11,13-14H,2-3,6-7,9-10H2
InChIKeyIUOXZWJRVCZVGY-UHFFFAOYSA-N
XLogP1.24
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
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 N-(3,4-dihydropyridin-2-ylmethyl)-1-(1,2,3,6-tetrahydropyridin-6-yl)methanamine?
The IUPAC name of N-(3,4-dihydropyridin-2-ylmethyl)-1-(1,2,3,6-tetrahydropyridin-6-yl)methanamine (CID 70991342) is N-(3,4-dihydropyridin-2-ylmethyl)-1-(1,2,3,6-tetrahydropyridin-6-yl)methanamine.
What is the SMILES notation for N-(3,4-dihydropyridin-2-ylmethyl)-1-(1,2,3,6-tetrahydropyridin-6-yl)methanamine?
The canonical SMILES for N-(3,4-dihydropyridin-2-ylmethyl)-1-(1,2,3,6-tetrahydropyridin-6-yl)methanamine is C1=CC(CNCC2=NC=CCC2)NCC1.
What is the InChIKey of N-(3,4-dihydropyridin-2-ylmethyl)-1-(1,2,3,6-tetrahydropyridin-6-yl)methanamine?
The InChIKey is IUOXZWJRVCZVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12/h1,4-5,8,11,13-14H,2-3,6-7,9-10H2.
What are the key properties of N-(3,4-dihydropyridin-2-ylmethyl)-1-(1,2,3,6-tetrahydropyridin-6-yl)methanamine?
N-(3,4-dihydropyridin-2-ylmethyl)-1-(1,2,3,6-tetrahydropyridin-6-yl)methanamine has a molecular weight of 205.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydropyridin-2-ylmethyl)-1-(1,2,3,6-tetrahydropyridin-6-yl)methanamine is sourced from PubChem (CID 70991342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).