N'-(1-methylpyrazol-3-yl)hexane-1,6-diamine

C10H20N4 — CID 103568574

IUPACN'-(1-methylpyrazol-3-yl)hexane-1,6-diamine
SMILESCn1ccc(NCCCCCCN)n1
InChIInChI=1S/C10H20N4/c1-14-9-6-10(13-14)12-8-5-3-2-4-7-11/h6,9H,2-5,7-8,11H2,1H3,(H,12,13)
InChIKeyAOJRVSYNAPARIE-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.35
Rot. Bonds7

About N'-(1-methylpyrazol-3-yl)hexane-1,6-diamine

N'-(1-methylpyrazol-3-yl)hexane-1,6-diamine (PubChem CID 103568574) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N'-(1-methylpyrazol-3-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-(1-methylpyrazol-3-yl)hexane-1,6-diamine
PubChem CID103568574
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN'-(1-methylpyrazol-3-yl)hexane-1,6-diamine
SMILESCn1ccc(NCCCCCCN)n1
InChIInChI=1S/C10H20N4/c1-14-9-6-10(13-14)12-8-5-3-2-4-7-11/h6,9H,2-5,7-8,11H2,1H3,(H,12,13)
InChIKeyAOJRVSYNAPARIE-UHFFFAOYSA-N
XLogP1.35
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-methylpyrazol-3-yl)amino]ethanol
CID 23443606
2-methyl-4-[(1-methylpyrazol-3-yl)amino]butan-2-ol
CID 79779568
N-(3-imidazol-1-ylpropyl)-1-methylpyrazol-3-amine
CID 79778766
N-[2-[2-(aminomethyl)phenyl]ethyl]-1-methylpyrazol-3-amine
CID 103568727
methyl 4-[(1-methylpyrazol-3-yl)amino]butanoate
CID 79778979
1-methyl-N-(2-propan-2-yloxyethyl)pyrazol-3-amine
CID 79779073
N'-hydroxy-2,2-dimethyl-4-[(1-methylpyrazol-3-yl)amino]butanimidamide
CID 79778953
1-methyl-N-[2-(4-methylphenyl)ethyl]pyrazol-3-amine
CID 75517812
N-(2-tert-butylsulfonylethyl)-1-methylpyrazol-3-amine
CID 106723990
2-ethyl-N'-(1-methylpyrazol-3-yl)propane-1,3-diamine
CID 103568549
2-ethyl-2-methyl-N'-(1-methylpyrazol-3-yl)propane-1,3-diamine
CID 103568533
N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-3-amine
CID 79778277

Frequently Asked Questions

What is the IUPAC name of N'-(1-methylpyrazol-3-yl)hexane-1,6-diamine?
The IUPAC name of N'-(1-methylpyrazol-3-yl)hexane-1,6-diamine (CID 103568574) is N'-(1-methylpyrazol-3-yl)hexane-1,6-diamine.
What is the SMILES notation for N'-(1-methylpyrazol-3-yl)hexane-1,6-diamine?
The canonical SMILES for N'-(1-methylpyrazol-3-yl)hexane-1,6-diamine is Cn1ccc(NCCCCCCN)n1.
What is the InChIKey of N'-(1-methylpyrazol-3-yl)hexane-1,6-diamine?
The InChIKey is AOJRVSYNAPARIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-14-9-6-10(13-14)12-8-5-3-2-4-7-11/h6,9H,2-5,7-8,11H2,1H3,(H,12,13).
What are the key properties of N'-(1-methylpyrazol-3-yl)hexane-1,6-diamine?
N'-(1-methylpyrazol-3-yl)hexane-1,6-diamine has a molecular weight of 196.30 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methylpyrazol-3-yl)hexane-1,6-diamine is sourced from PubChem (CID 103568574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).