1-[1-hydrazinyl-2-(4-methylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine

C18H31N3 — CID 105243879

IUPAC1-[1-hydrazinyl-2-(4-methylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
SMILESCc1ccc(CC(NN)C2(N(C)C)CCCCCC2)cc1
InChIInChI=1S/C18H31N3/c1-15-8-10-16(11-9-15)14-17(20-19)18(21(2)3)12-6-4-5-7-13-18/h8-11,17,20H,4-7,12-14,19H2,1-3H3
InChIKeyRTRJNYLUTXCUBG-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.02
Rot. Bonds5

About 1-[1-hydrazinyl-2-(4-methylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine

1-[1-hydrazinyl-2-(4-methylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 105243879) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-[1-hydrazinyl-2-(4-methylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[1-hydrazinyl-2-(4-methylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID105243879
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-[1-hydrazinyl-2-(4-methylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
SMILESCc1ccc(CC(NN)C2(N(C)C)CCCCCC2)cc1
InChIInChI=1S/C18H31N3/c1-15-8-10-16(11-9-15)14-17(20-19)18(21(2)3)12-6-4-5-7-13-18/h8-11,17,20H,4-7,12-14,19H2,1-3H3
InChIKeyRTRJNYLUTXCUBG-UHFFFAOYSA-N
XLogP3.02
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N,N-dimethyl-1-[1-(methylamino)-2-(4-methylphenyl)ethyl]cyclopentan-1-amine
CID 79070291
1-[2-(3,5-difluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine
CID 105412939
1-[1-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)ethanol
CID 79066048
[1-(1-methylcyclopropyl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105253480
1-[2-(4-chloro-3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine
CID 107895172
1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 105243191
1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 105243774
1-[2-(2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243271
1-(1-hydrazinyl-3-phenylpropyl)-N,N-dimethylcyclopentan-1-amine
CID 105242308
1-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylcycloheptan-1-amine
CID 79063752
N,N-dimethyl-1-[1-(methylamino)-2-phenylethyl]cyclopentan-1-amine
CID 79070215
1-[1-hydrazinyl-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243166

Frequently Asked Questions

What is the IUPAC name of 1-[1-hydrazinyl-2-(4-methylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[1-hydrazinyl-2-(4-methylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine (CID 105243879) is 1-[1-hydrazinyl-2-(4-methylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[1-hydrazinyl-2-(4-methylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[1-hydrazinyl-2-(4-methylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine is Cc1ccc(CC(NN)C2(N(C)C)CCCCCC2)cc1.
What is the InChIKey of 1-[1-hydrazinyl-2-(4-methylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is RTRJNYLUTXCUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-15-8-10-16(11-9-15)14-17(20-19)18(21(2)3)12-6-4-5-7-13-18/h8-11,17,20H,4-7,12-14,19H2,1-3H3.
What are the key properties of 1-[1-hydrazinyl-2-(4-methylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine?
1-[1-hydrazinyl-2-(4-methylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydrazinyl-2-(4-methylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 105243879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).