N'-[2-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine

C15H31N5 — CID 102994511

IUPACN'-[2-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CC(N)c1cnn(C)c1
InChIInChI=1S/C15H31N5/c1-5-19(6-2)9-8-10-20(7-3)13-15(16)14-11-17-18(4)12-14/h11-12,15H,5-10,13,16H2,1-4H3
InChIKeyKXXYAKQBJPJASR-UHFFFAOYSA-N
MW281.45 g/mol
LogP1.47
Rot. Bonds10

About N'-[2-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine

N'-[2-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine (PubChem CID 102994511) has the molecular formula C15H31N5 and a molecular weight of 281.45 g/mol. Its IUPAC name is N'-[2-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
PubChem CID102994511
Molecular FormulaC15H31N5
Molecular Weight281.45 g/mol
Exact Mass281.26
IUPAC NameN'-[2-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CC(N)c1cnn(C)c1
InChIInChI=1S/C15H31N5/c1-5-19(6-2)9-8-10-20(7-3)13-15(16)14-11-17-18(4)12-14/h11-12,15H,5-10,13,16H2,1-4H3
InChIKeyKXXYAKQBJPJASR-UHFFFAOYSA-N
XLogP1.47
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine
CID 115291096
N',N'-bis(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 113280024
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-propylethane-1,2-diamine
CID 115291130
N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102992514
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722
N'-ethyl-N'-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291264
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992533
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112660793
N'-butan-2-yl-N'-(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291231
N'-ethyl-N'-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291267
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 113280046

Frequently Asked Questions

What is the IUPAC name of N'-[2-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine?
The IUPAC name of N'-[2-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine (CID 102994511) is N'-[2-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine is CCN(CC)CCCN(CC)CC(N)c1cnn(C)c1.
What is the InChIKey of N'-[2-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine?
The InChIKey is KXXYAKQBJPJASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5/c1-5-19(6-2)9-8-10-20(7-3)13-15(16)14-11-17-18(4)12-14/h11-12,15H,5-10,13,16H2,1-4H3.
What are the key properties of N'-[2-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine?
N'-[2-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine has a molecular weight of 281.45 g/mol, XLogP of 1.47, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 102994511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).