N,N'-dimethyl-N'-[[5-[6-[methyl(2-methylpropyl)amino]-2,3-dihydropyridin-4-yl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine

C18H32N6 — CID 129210478

IUPACN,N'-dimethyl-N'-[[5-[6-[methyl(2-methylpropyl)amino]-2,3-dihydropyridin-4-yl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESCNCCN(C)Cc1cn[nH]c1C1=CC(N(C)CC(C)C)=NCC1
InChIInChI=1S/C18H32N6/c1-14(2)12-24(5)17-10-15(6-7-20-17)18-16(11-21-22-18)13-23(4)9-8-19-3/h10-11,14,19H,6-9,12-13H2,1-5H3,(H,21,22)
InChIKeyBOVOLPRNYXXSSK-UHFFFAOYSA-N
MW332.50 g/mol
LogP1.83
Rot. Bonds8

About N,N'-dimethyl-N'-[[5-[6-[methyl(2-methylpropyl)amino]-2,3-dihydropyridin-4-yl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine

N,N'-dimethyl-N'-[[5-[6-[methyl(2-methylpropyl)amino]-2,3-dihydropyridin-4-yl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine (PubChem CID 129210478) has the molecular formula C18H32N6 and a molecular weight of 332.50 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[[5-[6-[methyl(2-methylpropyl)amino]-2,3-dihydropyridin-4-yl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[[5-[6-[methyl(2-methylpropyl)amino]-2,3-dihydropyridin-4-yl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
PubChem CID129210478
Molecular FormulaC18H32N6
Molecular Weight332.50 g/mol
Exact Mass332.27
IUPAC NameN,N'-dimethyl-N'-[[5-[6-[methyl(2-methylpropyl)amino]-2,3-dihydropyridin-4-yl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESCNCCN(C)Cc1cn[nH]c1C1=CC(N(C)CC(C)C)=NCC1
InChIInChI=1S/C18H32N6/c1-14(2)12-24(5)17-10-15(6-7-20-17)18-16(11-21-22-18)13-23(4)9-8-19-3/h10-11,14,19H,6-9,12-13H2,1-5H3,(H,21,22)
InChIKeyBOVOLPRNYXXSSK-UHFFFAOYSA-N
XLogP1.83
TPSA59.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[[5-[6-[methyl(2-methylpropyl)amino]-2,3-dihydropyridin-4-yl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[[5-[6-[methyl(2-methylpropyl)amino]-2,3-dihydropyridin-4-yl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine (CID 129210478) is N,N'-dimethyl-N'-[[5-[6-[methyl(2-methylpropyl)amino]-2,3-dihydropyridin-4-yl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[[5-[6-[methyl(2-methylpropyl)amino]-2,3-dihydropyridin-4-yl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[[5-[6-[methyl(2-methylpropyl)amino]-2,3-dihydropyridin-4-yl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine is CNCCN(C)Cc1cn[nH]c1C1=CC(N(C)CC(C)C)=NCC1.
What is the InChIKey of N,N'-dimethyl-N'-[[5-[6-[methyl(2-methylpropyl)amino]-2,3-dihydropyridin-4-yl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The InChIKey is BOVOLPRNYXXSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6/c1-14(2)12-24(5)17-10-15(6-7-20-17)18-16(11-21-22-18)13-23(4)9-8-19-3/h10-11,14,19H,6-9,12-13H2,1-5H3,(H,21,22).
What are the key properties of N,N'-dimethyl-N'-[[5-[6-[methyl(2-methylpropyl)amino]-2,3-dihydropyridin-4-yl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[[5-[6-[methyl(2-methylpropyl)amino]-2,3-dihydropyridin-4-yl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine has a molecular weight of 332.50 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[[5-[6-[methyl(2-methylpropyl)amino]-2,3-dihydropyridin-4-yl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 129210478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).