N-hex-5-en-2-yl-1,5-dimethylpyrazol-3-amine

C11H19N3 — CID 104583972

IUPACN-hex-5-en-2-yl-1,5-dimethylpyrazol-3-amine
SMILESC=CCCC(C)Nc1cc(C)n(C)n1
InChIInChI=1S/C11H19N3/c1-5-6-7-9(2)12-11-8-10(3)14(4)13-11/h5,8-9H,1,6-7H2,2-4H3,(H,12,13)
InChIKeyKZXGFHPWMRDQCM-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.50
Rot. Bonds5

About N-hex-5-en-2-yl-1,5-dimethylpyrazol-3-amine

N-hex-5-en-2-yl-1,5-dimethylpyrazol-3-amine (PubChem CID 104583972) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-hex-5-en-2-yl-1,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound NameN-hex-5-en-2-yl-1,5-dimethylpyrazol-3-amine
PubChem CID104583972
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-hex-5-en-2-yl-1,5-dimethylpyrazol-3-amine
SMILESC=CCCC(C)Nc1cc(C)n(C)n1
InChIInChI=1S/C11H19N3/c1-5-6-7-9(2)12-11-8-10(3)14(4)13-11/h5,8-9H,1,6-7H2,2-4H3,(H,12,13)
InChIKeyKZXGFHPWMRDQCM-UHFFFAOYSA-N
XLogP2.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1,5-dimethylpyrazol-3-yl)amino]propan-1-ol
CID 130502735
N-[(2R)-hex-5-en-2-yl]-1-methylpyrazol-3-amine
CID 97358836
N-heptan-4-yl-1,5-dimethylpyrazol-3-amine
CID 115922057
N-(3-methoxybutan-2-yl)-1,5-dimethylpyrazol-3-amine
CID 115922045
N-hex-5-en-2-yl-4-methylaniline
CID 75525041
N-(1-cyclobutylethyl)-1,5-dimethylpyrazol-3-amine
CID 130607965
1,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-3-amine
CID 115922058
5-bromo-N-hex-5-en-2-ylpyridin-3-amine
CID 104583994
3,4,5-trifluoro-N-hex-5-en-2-ylaniline
CID 104655698
N-hex-5-en-2-yl-2-methyl-5-(tetrazol-1-yl)aniline
CID 104584103
1,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrazol-3-amine
CID 115922060
4-bromo-N-hex-5-en-2-yl-3-methylaniline
CID 104655310

Frequently Asked Questions

What is the IUPAC name of N-hex-5-en-2-yl-1,5-dimethylpyrazol-3-amine?
The IUPAC name of N-hex-5-en-2-yl-1,5-dimethylpyrazol-3-amine (CID 104583972) is N-hex-5-en-2-yl-1,5-dimethylpyrazol-3-amine.
What is the SMILES notation for N-hex-5-en-2-yl-1,5-dimethylpyrazol-3-amine?
The canonical SMILES for N-hex-5-en-2-yl-1,5-dimethylpyrazol-3-amine is C=CCCC(C)Nc1cc(C)n(C)n1.
What is the InChIKey of N-hex-5-en-2-yl-1,5-dimethylpyrazol-3-amine?
The InChIKey is KZXGFHPWMRDQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-5-6-7-9(2)12-11-8-10(3)14(4)13-11/h5,8-9H,1,6-7H2,2-4H3,(H,12,13).
What are the key properties of N-hex-5-en-2-yl-1,5-dimethylpyrazol-3-amine?
N-hex-5-en-2-yl-1,5-dimethylpyrazol-3-amine has a molecular weight of 193.29 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-en-2-yl-1,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 104583972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).