N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpropane-1,3-diamine

C12H24N4 — CID 61441963

IUPACN'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpropane-1,3-diamine
SMILESCC(C)NCCCN(C)Cc1cnn(C)c1
InChIInChI=1S/C12H24N4/c1-11(2)13-6-5-7-15(3)9-12-8-14-16(4)10-12/h8,10-11,13H,5-7,9H2,1-4H3
InChIKeyTUZQEPBIPCUOHN-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.24
Rot. Bonds7

About N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpropane-1,3-diamine

N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpropane-1,3-diamine (PubChem CID 61441963) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpropane-1,3-diamine
PubChem CID61441963
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpropane-1,3-diamine
SMILESCC(C)NCCCN(C)Cc1cnn(C)c1
InChIInChI=1S/C12H24N4/c1-11(2)13-6-5-7-15(3)9-12-8-14-16(4)10-12/h8,10-11,13H,5-7,9H2,1-4H3
InChIKeyTUZQEPBIPCUOHN-UHFFFAOYSA-N
XLogP1.24
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61442014
9-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]nonan-1-amine
CID 105343668
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propylethane-1,2-diamine
CID 61441962
4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
CID 61442435
5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentanoic acid
CID 61442340
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-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propan-2-ylamino)butanamide
CID 80683092
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
2-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol
CID 115665641
4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol
CID 62625333

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpropane-1,3-diamine (CID 61441963) is N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpropane-1,3-diamine is CC(C)NCCCN(C)Cc1cnn(C)c1.
What is the InChIKey of N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpropane-1,3-diamine?
The InChIKey is TUZQEPBIPCUOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-11(2)13-6-5-7-15(3)9-12-8-14-16(4)10-12/h8,10-11,13H,5-7,9H2,1-4H3.
What are the key properties of N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpropane-1,3-diamine?
N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpropane-1,3-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.24, 7 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-ylpropane-1,3-diamine is sourced from PubChem (CID 61441963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).