N',N'-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine

C11H22N4 — CID 103000722

IUPACN',N'-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine
SMILESCN(C)CCCNCCc1ccnn1C
InChIInChI=1S/C11H22N4/c1-14(2)10-4-7-12-8-5-11-6-9-13-15(11)3/h6,9,12H,4-5,7-8,10H2,1-3H3
InChIKeyHBCPXOLEDHCJMW-UHFFFAOYSA-N
MW210.33 g/mol
LogP0.50
Rot. Bonds7

About N',N'-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine

N',N'-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine (PubChem CID 103000722) has the molecular formula C11H22N4 and a molecular weight of 210.33 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine
PubChem CID103000722
Molecular FormulaC11H22N4
Molecular Weight210.33 g/mol
Exact Mass210.18
IUPAC NameN',N'-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine
SMILESCN(C)CCCNCCc1ccnn1C
InChIInChI=1S/C11H22N4/c1-14(2)10-4-7-12-8-5-11-6-9-13-15(11)3/h6,9,12H,4-5,7-8,10H2,1-3H3
InChIKeyHBCPXOLEDHCJMW-UHFFFAOYSA-N
XLogP0.50
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N',N'-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
CID 103005787
6-[2-(2-methylpyrazol-3-yl)ethylamino]hexan-1-ol
CID 107703692
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106844750
2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]ethanol
CID 103001295
2-(2-methylpyrazol-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 103002048
N',N'-diethyl-N-[(2-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 43663207
2-(1-methylpyrazol-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 114143932
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103006076
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 106047111
2-(2-methylpyrazol-3-yl)-N-[2-(triazol-1-yl)ethyl]ethanamine
CID 103002040
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694434
N-cyclopropyl-4-[2-(2-methylpyrazol-3-yl)ethylamino]butanamide
CID 103001655

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine (CID 103000722) is N',N'-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine is CN(C)CCCNCCc1ccnn1C.
What is the InChIKey of N',N'-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine?
The InChIKey is HBCPXOLEDHCJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-14(2)10-4-7-12-8-5-11-6-9-13-15(11)3/h6,9,12H,4-5,7-8,10H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine?
N',N'-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine has a molecular weight of 210.33 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 103000722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).