1-[1-hydrazinyl-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine

C16H31N5 — CID 105243166

IUPAC1-[1-hydrazinyl-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCC(C)n1ccc(CC(NN)C2(N(C)C)CCCCC2)n1
InChIInChI=1S/C16H31N5/c1-13(2)21-11-8-14(19-21)12-15(18-17)16(20(3)4)9-6-5-7-10-16/h8,11,13,15,18H,5-7,9-10,12,17H2,1-4H3
InChIKeyRXCAUKMRLLAQCV-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.10
Rot. Bonds6

About 1-[1-hydrazinyl-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine

1-[1-hydrazinyl-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 105243166) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is 1-[1-hydrazinyl-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-hydrazinyl-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID105243166
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Name1-[1-hydrazinyl-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCC(C)n1ccc(CC(NN)C2(N(C)C)CCCCC2)n1
InChIInChI=1S/C16H31N5/c1-13(2)21-11-8-14(19-21)12-15(18-17)16(20(3)4)9-6-5-7-10-16/h8,11,13,15,18H,5-7,9-10,12,17H2,1-4H3
InChIKeyRXCAUKMRLLAQCV-UHFFFAOYSA-N
XLogP2.10
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[1-amino-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066061
[1-(1-methoxy-3-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105277428
1-[1-hydrazinyl-2-(4-methylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243879
1-[1-hydroxy-2-(1-propan-2-ylpyrazol-3-yl)ethyl]cycloheptan-1-ol
CID 103452043
N,N-dimethyl-1-[2-(1-methylpyrazol-3-yl)-1-(propylamino)ethyl]cyclopentan-1-amine
CID 82876946
N-[1-(2-methyloxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine
CID 80684207
1-[2-(2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243271
1-(aminomethyl)-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 64772866
1-(1-methoxycyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104610783
[2-(1-methylpyrazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethyl]hydrazine
CID 105242808
1-[2-(3,5-difluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine
CID 105412939
1-[1-(dimethylamino)cycloheptyl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 79063367

Frequently Asked Questions

What is the IUPAC name of 1-[1-hydrazinyl-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[1-hydrazinyl-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine (CID 105243166) is 1-[1-hydrazinyl-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-hydrazinyl-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[1-hydrazinyl-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine is CC(C)n1ccc(CC(NN)C2(N(C)C)CCCCC2)n1.
What is the InChIKey of 1-[1-hydrazinyl-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is RXCAUKMRLLAQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-13(2)21-11-8-14(19-21)12-15(18-17)16(20(3)4)9-6-5-7-10-16/h8,11,13,15,18H,5-7,9-10,12,17H2,1-4H3.
What are the key properties of 1-[1-hydrazinyl-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine?
1-[1-hydrazinyl-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 293.46 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydrazinyl-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 105243166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).