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

C17H30N4O — CID 118685680

IUPACN,N'-dimethyl-N'-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESCNCCN(C)Cc1cn[nH]c1C1CCC2(CCCO2)CC1
InChIInChI=1S/C17H30N4O/c1-18-9-10-21(2)13-15-12-19-20-16(15)14-4-7-17(8-5-14)6-3-11-22-17/h12,14,18H,3-11,13H2,1-2H3,(H,19,20)
InChIKeyYTZQMXIUBURUJC-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.27
Rot. Bonds6

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

N,N'-dimethyl-N'-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine (PubChem CID 118685680) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
PubChem CID118685680
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC NameN,N'-dimethyl-N'-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESCNCCN(C)Cc1cn[nH]c1C1CCC2(CCCO2)CC1
InChIInChI=1S/C17H30N4O/c1-18-9-10-21(2)13-15-12-19-20-16(15)14-4-7-17(8-5-14)6-3-11-22-17/h12,14,18H,3-11,13H2,1-2H3,(H,19,20)
InChIKeyYTZQMXIUBURUJC-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
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-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine (CID 118685680) is N,N'-dimethyl-N'-[[5-(1-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-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine is CNCCN(C)Cc1cn[nH]c1C1CCC2(CCCO2)CC1.
What is the InChIKey of N,N'-dimethyl-N'-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The InChIKey is YTZQMXIUBURUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-18-9-10-21(2)13-15-12-19-20-16(15)14-4-7-17(8-5-14)6-3-11-22-17/h12,14,18H,3-11,13H2,1-2H3,(H,19,20).
What are the key properties of N,N'-dimethyl-N'-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[[5-(1-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 2.27, 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-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 118685680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).