N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine

C11H22N4 — CID 61442014

IUPACN'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCN(C)Cc1cnn(C)c1
InChIInChI=1S/C11H22N4/c1-10(2)12-5-6-14(3)8-11-7-13-15(4)9-11/h7,9-10,12H,5-6,8H2,1-4H3
InChIKeyYGXVBCDOYPFXFL-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.85
Rot. Bonds6

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

N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine (PubChem CID 61442014) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine
PubChem CID61442014
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCN(C)Cc1cnn(C)c1
InChIInChI=1S/C11H22N4/c1-10(2)12-5-6-14(3)8-11-7-13-15(4)9-11/h7,9-10,12H,5-6,8H2,1-4H3
InChIKeyYGXVBCDOYPFXFL-UHFFFAOYSA-N
XLogP0.85
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpropane-1,3-diamine
CID 61441963
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propylethane-1,2-diamine
CID 61441962
N'-benzyl-N'-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine
CID 97230507
N-(2-ethoxyethyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62557013
1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 61438748
N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62258803
N'-methyl-N-(3-methylcyclohexyl)-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62556838
3-methyl-4-(1-methylpyrazol-4-yl)-N-propan-2-ylbutan-1-amine
CID 81020328
3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propanehydrazide
CID 63583505
9-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]nonan-1-amine
CID 105343668
2-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol
CID 115665641
1-(1-methylpyrazol-4-yl)-5-(propan-2-ylamino)pentan-3-one
CID 103023561

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine (CID 61442014) is N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine is CC(C)NCCN(C)Cc1cnn(C)c1.
What is the InChIKey of N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine?
The InChIKey is YGXVBCDOYPFXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-10(2)12-5-6-14(3)8-11-7-13-15(4)9-11/h7,9-10,12H,5-6,8H2,1-4H3.
What are the key properties of N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine?
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 61442014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).