N,N'-dimethyl-N'-[[5-(2-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine

C17H30N4O — CID 118685683

IUPACN,N'-dimethyl-N'-[[5-(2-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESCNCCN(C)Cc1cn[nH]c1C1CCC2(CCOC2)CC1
InChIInChI=1S/C17H30N4O/c1-18-8-9-21(2)12-15-11-19-20-16(15)14-3-5-17(6-4-14)7-10-22-13-17/h11,14,18H,3-10,12-13H2,1-2H3,(H,19,20)
InChIKeyVIZZRKSCJHDUQT-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.13
Rot. Bonds6

About N,N'-dimethyl-N'-[[5-(2-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine

N,N'-dimethyl-N'-[[5-(2-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine (PubChem CID 118685683) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[[5-(2-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[[5-(2-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
PubChem CID118685683
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC NameN,N'-dimethyl-N'-[[5-(2-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESCNCCN(C)Cc1cn[nH]c1C1CCC2(CCOC2)CC1
InChIInChI=1S/C17H30N4O/c1-18-8-9-21(2)12-15-11-19-20-16(15)14-3-5-17(6-4-14)7-10-22-13-17/h11,14,18H,3-10,12-13H2,1-2H3,(H,19,20)
InChIKeyVIZZRKSCJHDUQT-UHFFFAOYSA-N
XLogP2.13
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[[5-(2-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[[5-(2-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine (CID 118685683) is N,N'-dimethyl-N'-[[5-(2-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[[5-(2-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[[5-(2-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine is CNCCN(C)Cc1cn[nH]c1C1CCC2(CCOC2)CC1.
What is the InChIKey of N,N'-dimethyl-N'-[[5-(2-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The InChIKey is VIZZRKSCJHDUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-18-8-9-21(2)12-15-11-19-20-16(15)14-3-5-17(6-4-14)7-10-22-13-17/h11,14,18H,3-10,12-13H2,1-2H3,(H,19,20).
What are the key properties of N,N'-dimethyl-N'-[[5-(2-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[[5-(2-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine has a molecular weight of 306.45 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[[5-(2-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 118685683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).