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

C12H22N4 — CID 115291322

IUPACN'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCC1CC1CN(C)CC(N)c1cnn(C)c1
InChIInChI=1S/C12H22N4/c1-9-4-10(9)6-15(2)8-12(13)11-5-14-16(3)7-11/h5,7,9-10,12H,4,6,8,13H2,1-3H3
InChIKeyBSXBCTTWZQGLEM-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.01
Rot. Bonds5

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

N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 115291322) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID115291322
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCC1CC1CN(C)CC(N)c1cnn(C)c1
InChIInChI=1S/C12H22N4/c1-9-4-10(9)6-15(2)8-12(13)11-5-14-16(3)7-11/h5,7,9-10,12H,4,6,8,13H2,1-3H3
InChIKeyBSXBCTTWZQGLEM-UHFFFAOYSA-N
XLogP1.01
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(cyclopentylmethyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291313
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-propylethane-1,2-diamine
CID 115291130
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112660793
1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine
CID 115291096
N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291370
(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
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 115291144
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
N',N'-bis(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 113280024
N'-[2-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994511
N'-ethyl-N'-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291264

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 115291322) is N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is CC1CC1CN(C)CC(N)c1cnn(C)c1.
What is the InChIKey of N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is BSXBCTTWZQGLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9-4-10(9)6-15(2)8-12(13)11-5-14-16(3)7-11/h5,7,9-10,12H,4,6,8,13H2,1-3H3.
What are the key properties of N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 115291322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).