N',N'-dimethyl-N-(1-methylpyrazol-4-yl)propane-1,3-diamine

C9H18N4 — CID 114525209

IUPACN',N'-dimethyl-N-(1-methylpyrazol-4-yl)propane-1,3-diamine
SMILESCN(C)CCCNc1cnn(C)c1
InChIInChI=1S/C9H18N4/c1-12(2)6-4-5-10-9-7-11-13(3)8-9/h7-8,10H,4-6H2,1-3H3
InChIKeyMIYUCUDAFQZQAK-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.78
Rot. Bonds5

About N',N'-dimethyl-N-(1-methylpyrazol-4-yl)propane-1,3-diamine

N',N'-dimethyl-N-(1-methylpyrazol-4-yl)propane-1,3-diamine (PubChem CID 114525209) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N',N'-dimethyl-N-(1-methylpyrazol-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(1-methylpyrazol-4-yl)propane-1,3-diamine
PubChem CID114525209
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN',N'-dimethyl-N-(1-methylpyrazol-4-yl)propane-1,3-diamine
SMILESCN(C)CCCNc1cnn(C)c1
InChIInChI=1S/C9H18N4/c1-12(2)6-4-5-10-9-7-11-13(3)8-9/h7-8,10H,4-6H2,1-3H3
InChIKeyMIYUCUDAFQZQAK-UHFFFAOYSA-N
XLogP0.78
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.78
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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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(1-methylpyrazol-4-yl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(1-methylpyrazol-4-yl)propane-1,3-diamine (CID 114525209) is N',N'-dimethyl-N-(1-methylpyrazol-4-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(1-methylpyrazol-4-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(1-methylpyrazol-4-yl)propane-1,3-diamine is CN(C)CCCNc1cnn(C)c1.
What is the InChIKey of N',N'-dimethyl-N-(1-methylpyrazol-4-yl)propane-1,3-diamine?
The InChIKey is MIYUCUDAFQZQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-12(2)6-4-5-10-9-7-11-13(3)8-9/h7-8,10H,4-6H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-(1-methylpyrazol-4-yl)propane-1,3-diamine?
N',N'-dimethyl-N-(1-methylpyrazol-4-yl)propane-1,3-diamine has a molecular weight of 182.27 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(1-methylpyrazol-4-yl)propane-1,3-diamine is sourced from PubChem (CID 114525209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).