1-[2-(3-chloro-4-pyridinyl)-1-hydrazinylethyl]-N,N-dimethylcycloheptan-1-amine

C16H27ClN4 — CID 105243834

IUPAC1-[2-(3-chloro-4-pyridinyl)-1-hydrazinylethyl]-N,N-dimethylcycloheptan-1-amine
SMILESCN(C)C1(C(Cc2ccncc2Cl)NN)CCCCCC1
InChIInChI=1S/C16H27ClN4/c1-21(2)16(8-5-3-4-6-9-16)15(20-18)11-13-7-10-19-12-14(13)17/h7,10,12,15,20H,3-6,8-9,11,18H2,1-2H3
InChIKeyHOISFROHISVLRL-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.76
Rot. Bonds5

About 1-[2-(3-chloro-4-pyridinyl)-1-hydrazinylethyl]-N,N-dimethylcycloheptan-1-amine

1-[2-(3-chloro-4-pyridinyl)-1-hydrazinylethyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 105243834) has the molecular formula C16H27ClN4 and a molecular weight of 310.87 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-pyridinyl)-1-hydrazinylethyl]-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[2-(3-chloro-4-pyridinyl)-1-hydrazinylethyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID105243834
Molecular FormulaC16H27ClN4
Molecular Weight310.87 g/mol
Exact Mass310.19
IUPAC Name1-[2-(3-chloro-4-pyridinyl)-1-hydrazinylethyl]-N,N-dimethylcycloheptan-1-amine
SMILESCN(C)C1(C(Cc2ccncc2Cl)NN)CCCCCC1
InChIInChI=1S/C16H27ClN4/c1-21(2)16(8-5-3-4-6-9-16)15(20-18)11-13-7-10-19-12-14(13)17/h7,10,12,15,20H,3-6,8-9,11,18H2,1-2H3
InChIKeyHOISFROHISVLRL-UHFFFAOYSA-N
XLogP2.76
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(3-chloro-4-pyridinyl)-1-(methylamino)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79064182
1-[2-(2-chlorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243271
1-[2-(3-chloro-4-pyridinyl)-1-(methylamino)ethyl]-N,N-diethylcyclopentan-1-amine
CID 79059412
1-[2-(2-chloro-5-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine
CID 102623370
3-[2-[1-(dimethylamino)cyclohexyl]-2-(methylamino)ethyl]pyridin-4-amine
CID 79066965
2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanol
CID 79069940
3-[2-[1-(dimethylamino)cyclohexyl]-2-(ethylamino)ethyl]pyridin-4-amine
CID 79061268
[2-(3-chloro-4-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine
CID 105277526
[2-(3-chloro-4-pyridinyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105231726
1-[1-hydrazinyl-2-(4-methylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243879
1-[2-(4-chloro-3-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine
CID 107895172
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-[2-(3-chloro-4-pyridinyl)-1-hydrazinylethyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[2-(3-chloro-4-pyridinyl)-1-hydrazinylethyl]-N,N-dimethylcycloheptan-1-amine (CID 105243834) is 1-[2-(3-chloro-4-pyridinyl)-1-hydrazinylethyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[2-(3-chloro-4-pyridinyl)-1-hydrazinylethyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[2-(3-chloro-4-pyridinyl)-1-hydrazinylethyl]-N,N-dimethylcycloheptan-1-amine is CN(C)C1(C(Cc2ccncc2Cl)NN)CCCCCC1.
What is the InChIKey of 1-[2-(3-chloro-4-pyridinyl)-1-hydrazinylethyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is HOISFROHISVLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN4/c1-21(2)16(8-5-3-4-6-9-16)15(20-18)11-13-7-10-19-12-14(13)17/h7,10,12,15,20H,3-6,8-9,11,18H2,1-2H3.
What are the key properties of 1-[2-(3-chloro-4-pyridinyl)-1-hydrazinylethyl]-N,N-dimethylcycloheptan-1-amine?
1-[2-(3-chloro-4-pyridinyl)-1-hydrazinylethyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 310.87 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-pyridinyl)-1-hydrazinylethyl]-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 105243834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).