N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethylcyclohexanamine

C14H23ClN4 — CID 55127591

IUPACN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethylcyclohexanamine
SMILESCCN(Cc1nc(NN)ccc1Cl)C1CCCCC1
InChIInChI=1S/C14H23ClN4/c1-2-19(11-6-4-3-5-7-11)10-13-12(15)8-9-14(17-13)18-16/h8-9,11H,2-7,10,16H2,1H3,(H,17,18)
InChIKeyQGUXPGNPKDOHGV-UHFFFAOYSA-N
MW282.82 g/mol
LogP3.18
Rot. Bonds5

About N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethylcyclohexanamine

N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethylcyclohexanamine (PubChem CID 55127591) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethylcyclohexanamine.

Molecular Properties

Compound NameN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethylcyclohexanamine
PubChem CID55127591
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC NameN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethylcyclohexanamine
SMILESCCN(Cc1nc(NN)ccc1Cl)C1CCCCC1
InChIInChI=1S/C14H23ClN4/c1-2-19(11-6-4-3-5-7-11)10-13-12(15)8-9-14(17-13)18-16/h8-9,11H,2-7,10,16H2,1H3,(H,17,18)
InChIKeyQGUXPGNPKDOHGV-UHFFFAOYSA-N
XLogP3.18
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 53.18
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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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethylcyclohexanamine?
The IUPAC name of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethylcyclohexanamine (CID 55127591) is N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethylcyclohexanamine.
What is the SMILES notation for N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethylcyclohexanamine?
The canonical SMILES for N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethylcyclohexanamine is CCN(Cc1nc(NN)ccc1Cl)C1CCCCC1.
What is the InChIKey of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethylcyclohexanamine?
The InChIKey is QGUXPGNPKDOHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-2-19(11-6-4-3-5-7-11)10-13-12(15)8-9-14(17-13)18-16/h8-9,11H,2-7,10,16H2,1H3,(H,17,18).
What are the key properties of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethylcyclohexanamine?
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethylcyclohexanamine has a molecular weight of 282.82 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethylcyclohexanamine is sourced from PubChem (CID 55127591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).