N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine

C14H23ClN4 — CID 55127733

IUPACN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1N(C)Cc1nc(NN)ccc1Cl
InChIInChI=1S/C14H23ClN4/c1-10-5-3-4-6-13(10)19(2)9-12-11(15)7-8-14(17-12)18-16/h7-8,10,13H,3-6,9,16H2,1-2H3,(H,17,18)
InChIKeyPVRTYWOOOCFLRK-UHFFFAOYSA-N
MW282.82 g/mol
LogP3.03
Rot. Bonds4

About N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine

N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine (PubChem CID 55127733) 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,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine
PubChem CID55127733
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC NameN-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1N(C)Cc1nc(NN)ccc1Cl
InChIInChI=1S/C14H23ClN4/c1-10-5-3-4-6-13(10)19(2)9-12-11(15)7-8-14(17-12)18-16/h7-8,10,13H,3-6,9,16H2,1-2H3,(H,17,18)
InChIKeyPVRTYWOOOCFLRK-UHFFFAOYSA-N
XLogP3.03
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 53.03
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,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine (CID 55127733) is N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine is CC1CCCCC1N(C)Cc1nc(NN)ccc1Cl.
What is the InChIKey of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine?
The InChIKey is PVRTYWOOOCFLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-10-5-3-4-6-13(10)19(2)9-12-11(15)7-8-14(17-12)18-16/h7-8,10,13H,3-6,9,16H2,1-2H3,(H,17,18).
What are the key properties of N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine?
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine has a molecular weight of 282.82 g/mol, XLogP of 3.03, 4 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,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 55127733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).