N,N'-dimethyl-N'-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine

C17H30N4O — CID 131982895

IUPACN,N'-dimethyl-N'-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine
SMILESCNCCN(C)Cc1ccnn1C1CCC2(CCCO2)CC1
InChIInChI=1S/C17H30N4O/c1-18-11-12-20(2)14-16-6-10-19-21(16)15-4-8-17(9-5-15)7-3-13-22-17/h6,10,15,18H,3-5,7-9,11-14H2,1-2H3
InChIKeyQYJDANLTLIYMHK-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.20
Rot. Bonds6

About N,N'-dimethyl-N'-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine

N,N'-dimethyl-N'-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine (PubChem CID 131982895) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine
PubChem CID131982895
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC NameN,N'-dimethyl-N'-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine
SMILESCNCCN(C)Cc1ccnn1C1CCC2(CCCO2)CC1
InChIInChI=1S/C17H30N4O/c1-18-11-12-20(2)14-16-6-10-19-21(16)15-4-8-17(9-5-15)7-3-13-22-17/h6,10,15,18H,3-5,7-9,11-14H2,1-2H3
InChIKeyQYJDANLTLIYMHK-UHFFFAOYSA-N
XLogP2.20
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine (CID 131982895) is N,N'-dimethyl-N'-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine is CNCCN(C)Cc1ccnn1C1CCC2(CCCO2)CC1.
What is the InChIKey of N,N'-dimethyl-N'-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine?
The InChIKey is QYJDANLTLIYMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-18-11-12-20(2)14-16-6-10-19-21(16)15-4-8-17(9-5-15)7-3-13-22-17/h6,10,15,18H,3-5,7-9,11-14H2,1-2H3.
What are the key properties of N,N'-dimethyl-N'-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine has a molecular weight of 306.45 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[[2-(1-oxaspiro[4.5]decan-8-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 131982895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).