N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine;N-(2-methoxyethyl)-2,2-dimethylcyclohexane-1-carboxamide

C20H39N5O2 — CID 145047785

IUPACN,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine;N-(2-methoxyethyl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCNCCN(C)Cc1cn[nH]c1.COCCNC(=O)C1CCCCC1(C)C
InChIInChI=1S/C12H23NO2.C8H16N4/c1-12(2)7-5-4-6-10(12)11(14)13-8-9-15-3;1-9-3-4-12(2)7-8-5-10-11-6-8/h10H,4-9H2,1-3H3,(H,13,14);5-6,9H,3-4,7H2,1-2H3,(H,10,11)
InChIKeyLAWCGKAFOIGEBV-UHFFFAOYSA-N
MW381.57 g/mol
LogP2.03
Rot. Bonds9

About N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine;N-(2-methoxyethyl)-2,2-dimethylcyclohexane-1-carboxamide

N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine;N-(2-methoxyethyl)-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 145047785) has the molecular formula C20H39N5O2 and a molecular weight of 381.57 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine;N-(2-methoxyethyl)-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine;N-(2-methoxyethyl)-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID145047785
Molecular FormulaC20H39N5O2
Molecular Weight381.57 g/mol
Exact Mass381.31
IUPAC NameN,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine;N-(2-methoxyethyl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCNCCN(C)Cc1cn[nH]c1.COCCNC(=O)C1CCCCC1(C)C
InChIInChI=1S/C12H23NO2.C8H16N4/c1-12(2)7-5-4-6-10(12)11(14)13-8-9-15-3;1-9-3-4-12(2)7-8-5-10-11-6-8/h10H,4-9H2,1-3H3,(H,13,14);5-6,9H,3-4,7H2,1-2H3,(H,10,11)
InChIKeyLAWCGKAFOIGEBV-UHFFFAOYSA-N
XLogP2.03
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.57
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 130233484
4-ethyl-4-methyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 130238513
4-tert-butyl-4-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide
CID 130277185
trans-(1S,5R)-N-(2-methoxyethyl)-2,2-dimethyl-5-[[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]methyl]cyclohexane-1-carboxamide
CID 138517283
4,4-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide;ethane
CID 144881827
4,4-dimethyl-N-(1H-pyrazol-4-ylmethyl)cyclohexane-1-carboxamide;ethane
CID 144881835
N-ethyl-N-(2-methylpropyl)cyclohexanecarboxamide;N-methyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
CID 145047723
N-cyclohexyl-N-(2-methoxyethyl)-4-methylpentanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
CID 145047750
N-(cyclohexylmethyl)-N-(2-methylpropyl)acetamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
CID 145047779
N-cyclohexyl-N-(2-methoxyethyl)-3-methylbutanamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
CID 145047782
2-cyclohexyl-N-methyl-N-(2-methylpropyl)acetamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
CID 145047808
N-butyl-N-(3-methoxypropyl)cyclohexanecarboxamide;N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine
CID 145047818

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine;N-(2-methoxyethyl)-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine;N-(2-methoxyethyl)-2,2-dimethylcyclohexane-1-carboxamide (CID 145047785) is N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine;N-(2-methoxyethyl)-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine;N-(2-methoxyethyl)-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine;N-(2-methoxyethyl)-2,2-dimethylcyclohexane-1-carboxamide is CNCCN(C)Cc1cn[nH]c1.COCCNC(=O)C1CCCCC1(C)C.
What is the InChIKey of N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine;N-(2-methoxyethyl)-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is LAWCGKAFOIGEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2.C8H16N4/c1-12(2)7-5-4-6-10(12)11(14)13-8-9-15-3;1-9-3-4-12(2)7-8-5-10-11-6-8/h10H,4-9H2,1-3H3,(H,13,14);5-6,9H,3-4,7H2,1-2H3,(H,10,11).
What are the key properties of N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine;N-(2-methoxyethyl)-2,2-dimethylcyclohexane-1-carboxamide?
N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine;N-(2-methoxyethyl)-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 381.57 g/mol, XLogP of 2.03, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(1H-pyrazol-4-ylmethyl)ethane-1,2-diamine;N-(2-methoxyethyl)-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 145047785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).