3,5-dichloro-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridin-2-amine

C14H17Cl2N3 — CID 6184511

IUPAC3,5-dichloro-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridin-2-amine
SMILESCC1=C/C(=N\Nc2ncc(Cl)cc2Cl)CC(C)(C)C1
InChIInChI=1S/C14H17Cl2N3/c1-9-4-11(7-14(2,3)6-9)18-19-13-12(16)5-10(15)8-17-13/h4-5,8H,6-7H2,1-3H3,(H,17,19)/b18-11+
InChIKeyBYXSZGGAYQEVQH-WOJGMQOQSA-N
MW298.22 g/mol
LogP4.92
Rot. Bonds2

About 3,5-dichloro-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridin-2-amine

3,5-dichloro-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridin-2-amine (PubChem CID 6184511) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 3,5-dichloro-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridin-2-amine
PubChem CID6184511
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name3,5-dichloro-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridin-2-amine
SMILESCC1=C/C(=N\Nc2ncc(Cl)cc2Cl)CC(C)(C)C1
InChIInChI=1S/C14H17Cl2N3/c1-9-4-11(7-14(2,3)6-9)18-19-13-12(16)5-10(15)8-17-13/h4-5,8H,6-7H2,1-3H3,(H,17,19)/b18-11+
InChIKeyBYXSZGGAYQEVQH-WOJGMQOQSA-N
XLogP4.92
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 3,5-dichloro-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridin-2-amine (CID 6184511) is 3,5-dichloro-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridin-2-amine is CC1=C/C(=N\Nc2ncc(Cl)cc2Cl)CC(C)(C)C1.
What is the InChIKey of 3,5-dichloro-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridin-2-amine?
The InChIKey is BYXSZGGAYQEVQH-WOJGMQOQSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-9-4-11(7-14(2,3)6-9)18-19-13-12(16)5-10(15)8-17-13/h4-5,8H,6-7H2,1-3H3,(H,17,19)/b18-11+.
What are the key properties of 3,5-dichloro-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridin-2-amine?
3,5-dichloro-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridin-2-amine has a molecular weight of 298.22 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridin-2-amine is sourced from PubChem (CID 6184511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).