N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

C13H26N4O — CID 54987034

IUPACN-(2-methoxyethyl)-N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCOCCN(CC(C)C)C(CN)c1cnn(C)c1
InChIInChI=1S/C13H26N4O/c1-11(2)9-17(5-6-18-4)13(7-14)12-8-15-16(3)10-12/h8,10-11,13H,5-7,9,14H2,1-4H3
InChIKeyZFBCUSHLZGTNND-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.02
Rot. Bonds8

About N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 54987034) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID54987034
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN-(2-methoxyethyl)-N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCOCCN(CC(C)C)C(CN)c1cnn(C)c1
InChIInChI=1S/C13H26N4O/c1-11(2)9-17(5-6-18-4)13(7-14)12-8-15-16(3)10-12/h8,10-11,13H,5-7,9,14H2,1-4H3
InChIKeyZFBCUSHLZGTNND-UHFFFAOYSA-N
XLogP1.02
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 55011601
N'-butan-2-yl-N'-(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291231
N',N'-bis(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 113280024
N,N-dibutyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43125888
1-(4-fluorophenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 54987179
1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 66135325
N-butan-2-yl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43272781
N-butan-2-yl-N-(2-methoxyethyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571807
1-(4-fluoro-3-methylphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62120803
N-butyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43199885
1-(3-chloro-4-methoxyphenyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65021783
1-(furan-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 54986599

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 54987034) is N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is COCCN(CC(C)C)C(CN)c1cnn(C)c1.
What is the InChIKey of N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is ZFBCUSHLZGTNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-11(2)9-17(5-6-18-4)13(7-14)12-8-15-16(3)10-12/h8,10-11,13H,5-7,9,14H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 254.38 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 54987034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).