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

C13H26N4O — CID 115291231

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

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

N'-butan-2-yl-N'-(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 115291231) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N'-butan-2-yl-N'-(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID115291231
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN'-butan-2-yl-N'-(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCC(C)N(CCOC)CC(N)c1cnn(C)c1
InChIInChI=1S/C13H26N4O/c1-5-11(2)17(6-7-18-4)10-13(14)12-8-15-16(3)9-12/h8-9,11,13H,5-7,10,14H2,1-4H3
InChIKeyRUXVTMABDTYLLM-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N',N'-bis(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 113280024
1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine
CID 115291096
N-(2-methoxyethyl)-N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 54987034
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-propylethane-1,2-diamine
CID 115291130
N'-[2-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994511
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 113280046
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112660793
N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291370
N'-ethyl-N'-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291264
N-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 55011601

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N'-(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 115291231) is N'-butan-2-yl-N'-(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N'-(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is CCC(C)N(CCOC)CC(N)c1cnn(C)c1.
What is the InChIKey of N'-butan-2-yl-N'-(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is RUXVTMABDTYLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-5-11(2)17(6-7-18-4)10-13(14)12-8-15-16(3)9-12/h8-9,11,13H,5-7,10,14H2,1-4H3.
What are the key properties of N'-butan-2-yl-N'-(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
N'-butan-2-yl-N'-(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 254.38 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 115291231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).