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

C12H24N4O — CID 114279056

IUPACN-(2-methoxyethyl)-N'-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]ethane-1,2-diamine
SMILESCOCCNCCN(C)CCn1cc(C)cn1
InChIInChI=1S/C12H24N4O/c1-12-10-14-16(11-12)8-7-15(2)6-4-13-5-9-17-3/h10-11,13H,4-9H2,1-3H3
InChIKeyFDLAVFCHZWOONE-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.36
Rot. Bonds9

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

N-(2-methoxyethyl)-N'-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]ethane-1,2-diamine (PubChem CID 114279056) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]ethane-1,2-diamine
PubChem CID114279056
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC NameN-(2-methoxyethyl)-N'-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]ethane-1,2-diamine
SMILESCOCCNCCN(C)CCn1cc(C)cn1
InChIInChI=1S/C12H24N4O/c1-12-10-14-16(11-12)8-7-15(2)6-4-13-5-9-17-3/h10-11,13H,4-9H2,1-3H3
InChIKeyFDLAVFCHZWOONE-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
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-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine
CID 62565066
3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
CID 62565456
3-(2-methoxyethoxy)-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
CID 114130438
acetaldehyde;1-(2-methoxyethyl)-4-methylpyrazole
CID 144516291
N',N'-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]propane-1,3-diamine
CID 62565065
N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526602
N-(2-butoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine
CID 62566750
N-(2-methoxyethyl)-N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]ethane-1,2-diamine
CID 55085307
N,N-dimethyl-3-[2-(4-methylpyrazol-1-yl)ethylamino]propane-1-sulfonamide
CID 56780256
1-(2-aminoethyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrazole-4-sulfonamide
CID 106056409
N-(2-methoxyethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62574597
N-(2-methoxyethyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 62576056

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]ethane-1,2-diamine (CID 114279056) is N-(2-methoxyethyl)-N'-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]ethane-1,2-diamine is COCCNCCN(C)CCn1cc(C)cn1.
What is the InChIKey of N-(2-methoxyethyl)-N'-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]ethane-1,2-diamine?
The InChIKey is FDLAVFCHZWOONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-12-10-14-16(11-12)8-7-15(2)6-4-13-5-9-17-3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N'-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]ethane-1,2-diamine?
N-(2-methoxyethyl)-N'-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]ethane-1,2-diamine has a molecular weight of 240.35 g/mol, XLogP of 0.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 114279056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).