2-N-methyl-6-N-(2H-pyrrol-2-ylmethyl)-1,2,3,4-tetrahydropyridine-2,6-diamine

C11H18N4 — CID 166916558

IUPAC2-N-methyl-6-N-(2H-pyrrol-2-ylmethyl)-1,2,3,4-tetrahydropyridine-2,6-diamine
SMILESCNC1CCC=C(NCC2C=CC=N2)N1
InChIInChI=1S/C11H18N4/c1-12-10-5-2-6-11(15-10)14-8-9-4-3-7-13-9/h3-4,6-7,9-10,12,14-15H,2,5,8H2,1H3
InChIKeyLWWSJGGUUUTSOR-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.36
Rot. Bonds4

About 2-N-methyl-6-N-(2H-pyrrol-2-ylmethyl)-1,2,3,4-tetrahydropyridine-2,6-diamine

2-N-methyl-6-N-(2H-pyrrol-2-ylmethyl)-1,2,3,4-tetrahydropyridine-2,6-diamine (PubChem CID 166916558) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-N-methyl-6-N-(2H-pyrrol-2-ylmethyl)-1,2,3,4-tetrahydropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-(2H-pyrrol-2-ylmethyl)-1,2,3,4-tetrahydropyridine-2,6-diamine
PubChem CID166916558
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2-N-methyl-6-N-(2H-pyrrol-2-ylmethyl)-1,2,3,4-tetrahydropyridine-2,6-diamine
SMILESCNC1CCC=C(NCC2C=CC=N2)N1
InChIInChI=1S/C11H18N4/c1-12-10-5-2-6-11(15-10)14-8-9-4-3-7-13-9/h3-4,6-7,9-10,12,14-15H,2,5,8H2,1H3
InChIKeyLWWSJGGUUUTSOR-UHFFFAOYSA-N
XLogP0.36
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-N-(2H-pyrrol-2-ylmethyl)-1,2,3,4-tetrahydropyridine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-(2H-pyrrol-2-ylmethyl)-1,2,3,4-tetrahydropyridine-2,6-diamine (CID 166916558) is 2-N-methyl-6-N-(2H-pyrrol-2-ylmethyl)-1,2,3,4-tetrahydropyridine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-(2H-pyrrol-2-ylmethyl)-1,2,3,4-tetrahydropyridine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-(2H-pyrrol-2-ylmethyl)-1,2,3,4-tetrahydropyridine-2,6-diamine is CNC1CCC=C(NCC2C=CC=N2)N1.
What is the InChIKey of 2-N-methyl-6-N-(2H-pyrrol-2-ylmethyl)-1,2,3,4-tetrahydropyridine-2,6-diamine?
The InChIKey is LWWSJGGUUUTSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-12-10-5-2-6-11(15-10)14-8-9-4-3-7-13-9/h3-4,6-7,9-10,12,14-15H,2,5,8H2,1H3.
What are the key properties of 2-N-methyl-6-N-(2H-pyrrol-2-ylmethyl)-1,2,3,4-tetrahydropyridine-2,6-diamine?
2-N-methyl-6-N-(2H-pyrrol-2-ylmethyl)-1,2,3,4-tetrahydropyridine-2,6-diamine has a molecular weight of 206.29 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-N-(2H-pyrrol-2-ylmethyl)-1,2,3,4-tetrahydropyridine-2,6-diamine is sourced from PubChem (CID 166916558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).