N,N'-dimethyl-N'-[[5-[4-[3-methylbutyl(oxan-4-ylmethyl)amino]cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine

C25H47N5O — CID 155129880

IUPACN,N'-dimethyl-N'-[[5-[4-[3-methylbutyl(oxan-4-ylmethyl)amino]cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESCNCCN(C)Cc1cn[nH]c1C1CCC(N(CCC(C)C)CC2CCOCC2)CC1
InChIInChI=1S/C25H47N5O/c1-20(2)9-13-30(18-21-10-15-31-16-11-21)24-7-5-22(6-8-24)25-23(17-27-28-25)19-29(4)14-12-26-3/h17,20-22,24,26H,5-16,18-19H2,1-4H3,(H,27,28)
InChIKeyCCXZSGIEJNKPAG-UHFFFAOYSA-N
MW433.69 g/mol
LogP3.86
Rot. Bonds12

About N,N'-dimethyl-N'-[[5-[4-[3-methylbutyl(oxan-4-ylmethyl)amino]cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine

N,N'-dimethyl-N'-[[5-[4-[3-methylbutyl(oxan-4-ylmethyl)amino]cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine (PubChem CID 155129880) has the molecular formula C25H47N5O and a molecular weight of 433.69 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[[5-[4-[3-methylbutyl(oxan-4-ylmethyl)amino]cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[[5-[4-[3-methylbutyl(oxan-4-ylmethyl)amino]cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
PubChem CID155129880
Molecular FormulaC25H47N5O
Molecular Weight433.69 g/mol
Exact Mass433.38
IUPAC NameN,N'-dimethyl-N'-[[5-[4-[3-methylbutyl(oxan-4-ylmethyl)amino]cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESCNCCN(C)Cc1cn[nH]c1C1CCC(N(CCC(C)C)CC2CCOCC2)CC1
InChIInChI=1S/C25H47N5O/c1-20(2)9-13-30(18-21-10-15-31-16-11-21)24-7-5-22(6-8-24)25-23(17-27-28-25)19-29(4)14-12-26-3/h17,20-22,24,26H,5-16,18-19H2,1-4H3,(H,27,28)
InChIKeyCCXZSGIEJNKPAG-UHFFFAOYSA-N
XLogP3.86
TPSA56.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.69
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N,N'-dimethyl-N'-[[5-[4-[3-methylbutyl(oxan-4-ylmethyl)amino]cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine with MolForge

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Related Compounds

N'-[[5-[4-(methoxymethyl)-4-(oxan-4-yloxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 118971580
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-spiro[2.5]octan-6-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 118688387
N,N'-dimethyl-N'-[(5-spiro[5.5]undecan-3-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 118685676
N-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-N-(oxan-4-ylmethyl)propanamide
CID 145047840
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
N,N'-dimethyl-N'-[[5-[4-(2-methylbutan-2-yloxy)cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 118970785
4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexan-1-ol;2,2,2-trifluoroacetic acid
CID 90460684
(2S,5R)-2-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]spiro[5.5]undecan-5-ol
CID 118674247
8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one
CID 118688357
4-[(3R)-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 138517306

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[[5-[4-[3-methylbutyl(oxan-4-ylmethyl)amino]cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[[5-[4-[3-methylbutyl(oxan-4-ylmethyl)amino]cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine (CID 155129880) is N,N'-dimethyl-N'-[[5-[4-[3-methylbutyl(oxan-4-ylmethyl)amino]cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[[5-[4-[3-methylbutyl(oxan-4-ylmethyl)amino]cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[[5-[4-[3-methylbutyl(oxan-4-ylmethyl)amino]cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine is CNCCN(C)Cc1cn[nH]c1C1CCC(N(CCC(C)C)CC2CCOCC2)CC1.
What is the InChIKey of N,N'-dimethyl-N'-[[5-[4-[3-methylbutyl(oxan-4-ylmethyl)amino]cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The InChIKey is CCXZSGIEJNKPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47N5O/c1-20(2)9-13-30(18-21-10-15-31-16-11-21)24-7-5-22(6-8-24)25-23(17-27-28-25)19-29(4)14-12-26-3/h17,20-22,24,26H,5-16,18-19H2,1-4H3,(H,27,28).
What are the key properties of N,N'-dimethyl-N'-[[5-[4-[3-methylbutyl(oxan-4-ylmethyl)amino]cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[[5-[4-[3-methylbutyl(oxan-4-ylmethyl)amino]cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine has a molecular weight of 433.69 g/mol, XLogP of 3.86, 12 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-[4-[3-methylbutyl(oxan-4-ylmethyl)amino]cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 155129880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).