N-(2,3-dihydropyridin-6-yl)-N'-propan-2-ylethane-1,2-diamine

C10H19N3 — CID 129045666

IUPACN-(2,3-dihydropyridin-6-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNC1=NCCC=C1
InChIInChI=1S/C10H19N3/c1-9(2)11-7-8-13-10-5-3-4-6-12-10/h3,5,9,11H,4,6-8H2,1-2H3,(H,12,13)
InChIKeyJZGBBKJNKGOYJF-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.93
Rot. Bonds4

About N-(2,3-dihydropyridin-6-yl)-N'-propan-2-ylethane-1,2-diamine

N-(2,3-dihydropyridin-6-yl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 129045666) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(2,3-dihydropyridin-6-yl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,3-dihydropyridin-6-yl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID129045666
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-(2,3-dihydropyridin-6-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNC1=NCCC=C1
InChIInChI=1S/C10H19N3/c1-9(2)11-7-8-13-10-5-3-4-6-12-10/h3,5,9,11H,4,6-8H2,1-2H3,(H,12,13)
InChIKeyJZGBBKJNKGOYJF-UHFFFAOYSA-N
XLogP0.93
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydropyridin-6-yl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(2,3-dihydropyridin-6-yl)-N'-propan-2-ylethane-1,2-diamine (CID 129045666) is N-(2,3-dihydropyridin-6-yl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(2,3-dihydropyridin-6-yl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(2,3-dihydropyridin-6-yl)-N'-propan-2-ylethane-1,2-diamine is CC(C)NCCNC1=NCCC=C1.
What is the InChIKey of N-(2,3-dihydropyridin-6-yl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is JZGBBKJNKGOYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-9(2)11-7-8-13-10-5-3-4-6-12-10/h3,5,9,11H,4,6-8H2,1-2H3,(H,12,13).
What are the key properties of N-(2,3-dihydropyridin-6-yl)-N'-propan-2-ylethane-1,2-diamine?
N-(2,3-dihydropyridin-6-yl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 181.28 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydropyridin-6-yl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 129045666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).