N,N'-dimethyl-N'-[(5-spiro[2.5]octan-6-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine

C16H28N4 — CID 118688387

IUPACN,N'-dimethyl-N'-[(5-spiro[2.5]octan-6-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCNCCN(C)Cc1cn[nH]c1C1CCC2(CC1)CC2
InChIInChI=1S/C16H28N4/c1-17-9-10-20(2)12-14-11-18-19-15(14)13-3-5-16(6-4-13)7-8-16/h11,13,17H,3-10,12H2,1-2H3,(H,18,19)
InChIKeyFYSPEJVUQLASJP-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.50
Rot. Bonds6

About N,N'-dimethyl-N'-[(5-spiro[2.5]octan-6-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine

N,N'-dimethyl-N'-[(5-spiro[2.5]octan-6-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 118688387) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[(5-spiro[2.5]octan-6-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[(5-spiro[2.5]octan-6-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID118688387
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN,N'-dimethyl-N'-[(5-spiro[2.5]octan-6-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCNCCN(C)Cc1cn[nH]c1C1CCC2(CC1)CC2
InChIInChI=1S/C16H28N4/c1-17-9-10-20(2)12-14-11-18-19-15(14)13-3-5-16(6-4-13)7-8-16/h11,13,17H,3-10,12H2,1-2H3,(H,18,19)
InChIKeyFYSPEJVUQLASJP-UHFFFAOYSA-N
XLogP2.50
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dimethyl-N'-[(5-spiro[5.5]undecan-3-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 118685676
N,N'-dimethyl-N'-[[5-(2-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 118685683
N,N'-dimethyl-N'-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 118685680
N'-[[5-(1,1-dimethyl-2-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 90461186
3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 118688358
8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one
CID 118688357
(2S,5R)-2-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]spiro[5.5]undecan-5-ol
CID 118674247
4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexan-1-ol;2,2,2-trifluoroacetic acid
CID 90460684
N,N'-dimethyl-N'-[[5-[4-(2-methylbutan-2-yloxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 118970785
2-benzyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one
CID 118688383
N'-[[5-[4-(methoxymethyl)-4-(oxan-4-yloxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 118971580
N'-[[5-[3,5-bis(ethoxymethyl)-4,4-dimethylcyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 118971599

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[(5-spiro[2.5]octan-6-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[(5-spiro[2.5]octan-6-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine (CID 118688387) is N,N'-dimethyl-N'-[(5-spiro[2.5]octan-6-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[(5-spiro[2.5]octan-6-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[(5-spiro[2.5]octan-6-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine is CNCCN(C)Cc1cn[nH]c1C1CCC2(CC1)CC2.
What is the InChIKey of N,N'-dimethyl-N'-[(5-spiro[2.5]octan-6-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is FYSPEJVUQLASJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-17-9-10-20(2)12-14-11-18-19-15(14)13-3-5-16(6-4-13)7-8-16/h11,13,17H,3-10,12H2,1-2H3,(H,18,19).
What are the key properties of N,N'-dimethyl-N'-[(5-spiro[2.5]octan-6-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[(5-spiro[2.5]octan-6-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 276.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[(5-spiro[2.5]octan-6-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 118688387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).