N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine

C11H22N4 — CID 115318737

IUPACN'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
SMILESCc1nn(C)c(C)c1CN(C)CCCN
InChIInChI=1S/C11H22N4/c1-9-11(10(2)15(4)13-9)8-14(3)7-5-6-12/h5-8,12H2,1-4H3
InChIKeySONDHUOTAHKUSZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.82
Rot. Bonds5

About N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine

N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine (PubChem CID 115318737) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
PubChem CID115318737
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
SMILESCc1nn(C)c(C)c1CN(C)CCCN
InChIInChI=1S/C11H22N4/c1-9-11(10(2)15(4)13-9)8-14(3)7-5-6-12/h5-8,12H2,1-4H3
InChIKeySONDHUOTAHKUSZ-UHFFFAOYSA-N
XLogP0.82
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62682565
N'-ethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 103102216
N',2,2-trimethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 79645097
N,1,3,5-tetramethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477956
2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 50988502
1,3-dimethyl-4-[[methyl(propyl)amino]methyl]pyrazol-5-amine
CID 62182033
N-(5-aminopentyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 107206591
N,N'-dimethyl-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]ethane-1,2-diamine
CID 113409000
5-bromo-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methylpentan-1-amine
CID 107204911
4-(3-fluoropropyl)-1,3,5-trimethylpyrazole
CID 83930090
5-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pentanamide
CID 79237251
4-bromo-N,1,3-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19478610

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine (CID 115318737) is N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine is Cc1nn(C)c(C)c1CN(C)CCCN.
What is the InChIKey of N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine?
The InChIKey is SONDHUOTAHKUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-9-11(10(2)15(4)13-9)8-14(3)7-5-6-12/h5-8,12H2,1-4H3.
What are the key properties of N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine?
N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine has a molecular weight of 210.32 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 115318737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).