N-(2-ethoxyethyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine

C12H24N4O — CID 62557013

IUPACN-(2-ethoxyethyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCOCCNCCN(C)Cc1cnn(C)c1
InChIInChI=1S/C12H24N4O/c1-4-17-8-6-13-5-7-15(2)10-12-9-14-16(3)11-12/h9,11,13H,4-8,10H2,1-3H3
InChIKeyYVJXLJUZMHASNS-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.48
Rot. Bonds9

About N-(2-ethoxyethyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine

N-(2-ethoxyethyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 62557013) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID62557013
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC NameN-(2-ethoxyethyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
SMILESCCOCCNCCN(C)Cc1cnn(C)c1
InChIInChI=1S/C12H24N4O/c1-4-17-8-6-13-5-7-15(2)10-12-9-14-16(3)11-12/h9,11,13H,4-8,10H2,1-3H3
InChIKeyYVJXLJUZMHASNS-UHFFFAOYSA-N
XLogP0.48
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propylethane-1,2-diamine
CID 61441962
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61442014
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpropane-1,3-diamine
CID 61441963
2-[2-[2-(1-methylpyrazol-4-yl)ethylamino]ethoxy]acetamide
CID 106238366
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide
CID 63583505
N-(3-ethoxypropyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62560243
2-ethoxy-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
CID 63073155
9-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]nonan-1-amine
CID 105343668
N'-methyl-N-(3-methylcyclohexyl)-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62556838
N-(3-methoxypropyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 51183315
N-(3-chlorophenyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62558742
4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
CID 61442435

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N-(2-ethoxyethyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine (CID 62557013) is N-(2-ethoxyethyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-(2-ethoxyethyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-(2-ethoxyethyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine is CCOCCNCCN(C)Cc1cnn(C)c1.
What is the InChIKey of N-(2-ethoxyethyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is YVJXLJUZMHASNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-4-17-8-6-13-5-7-15(2)10-12-9-14-16(3)11-12/h9,11,13H,4-8,10H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine?
N-(2-ethoxyethyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 240.35 g/mol, XLogP of 0.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62557013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).