1-[(3,4-dichlorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine

C16H25Cl2N3 — CID 105243847

IUPAC1-[(3,4-dichlorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
SMILESCN(C)C1(C(NN)c2ccc(Cl)c(Cl)c2)CCCCCC1
InChIInChI=1S/C16H25Cl2N3/c1-21(2)16(9-5-3-4-6-10-16)15(20-19)12-7-8-13(17)14(18)11-12/h7-8,11,15,20H,3-6,9-10,19H2,1-2H3
InChIKeyJCQJLJNDXMYZNR-UHFFFAOYSA-N
MW330.30 g/mol
LogP4.15
Rot. Bonds4

About 1-[(3,4-dichlorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine

1-[(3,4-dichlorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 105243847) has the molecular formula C16H25Cl2N3 and a molecular weight of 330.30 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID105243847
Molecular FormulaC16H25Cl2N3
Molecular Weight330.30 g/mol
Exact Mass329.14
IUPAC Name1-[(3,4-dichlorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
SMILESCN(C)C1(C(NN)c2ccc(Cl)c(Cl)c2)CCCCCC1
InChIInChI=1S/C16H25Cl2N3/c1-21(2)16(9-5-3-4-6-10-16)15(20-19)12-7-8-13(17)14(18)11-12/h7-8,11,15,20H,3-6,9-10,19H2,1-2H3
InChIKeyJCQJLJNDXMYZNR-UHFFFAOYSA-N
XLogP4.15
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 54.15
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

[(3,4-dichlorophenyl)-(1-methylcyclopentyl)methyl]hydrazine
CID 105281293
1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 105243774
1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 105243191
1-[(4-fluoro-3-methylphenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243772
1-[hydrazinyl-(3-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 105243818
1-[hydrazinyl-(4-propan-2-yloxyphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 105242531
5-chloro-3-[[1-(dimethylamino)cycloheptyl]-hydrazinylmethyl]pyridin-2-amine
CID 105243865
1-[(2-ethylpyrazol-3-yl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243858
1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropan-1-amine
CID 116961270
1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243362
1-[(2,5-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066890
1-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 105243796

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[(3,4-dichlorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine (CID 105243847) is 1-[(3,4-dichlorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine is CN(C)C1(C(NN)c2ccc(Cl)c(Cl)c2)CCCCCC1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is JCQJLJNDXMYZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25Cl2N3/c1-21(2)16(9-5-3-4-6-10-16)15(20-19)12-7-8-13(17)14(18)11-12/h7-8,11,15,20H,3-6,9-10,19H2,1-2H3.
What are the key properties of 1-[(3,4-dichlorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine?
1-[(3,4-dichlorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 330.30 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 105243847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).