1,3-dicyclohexyl-2-N,4-N-dimethyl-1,3-diazetidine-2,4-diimine

C16H28N4 — CID 134811568

IUPAC1,3-dicyclohexyl-2-N,4-N-dimethyl-1,3-diazetidine-2,4-diimine
SMILESCN=C1N(C2CCCCC2)C(=NC)N1C1CCCCC1
InChIInChI=1S/C16H28N4/c1-17-15-19(13-9-5-3-6-10-13)16(18-2)20(15)14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3/b17-15-,18-16+
InChIKeyPMBFHPWKPNCGNE-JRDMOELTSA-N
MW276.43 g/mol
LogP3.24
Rot. Bonds2

About 1,3-dicyclohexyl-2-N,4-N-dimethyl-1,3-diazetidine-2,4-diimine

1,3-dicyclohexyl-2-N,4-N-dimethyl-1,3-diazetidine-2,4-diimine (PubChem CID 134811568) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1,3-dicyclohexyl-2-N,4-N-dimethyl-1,3-diazetidine-2,4-diimine.

Molecular Properties

Compound Name1,3-dicyclohexyl-2-N,4-N-dimethyl-1,3-diazetidine-2,4-diimine
PubChem CID134811568
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1,3-dicyclohexyl-2-N,4-N-dimethyl-1,3-diazetidine-2,4-diimine
SMILESCN=C1N(C2CCCCC2)C(=NC)N1C1CCCCC1
InChIInChI=1S/C16H28N4/c1-17-15-19(13-9-5-3-6-10-13)16(18-2)20(15)14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3/b17-15-,18-16+
InChIKeyPMBFHPWKPNCGNE-JRDMOELTSA-N
XLogP3.24
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

CID 373977
CID 373977
CID 139291557
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CID 15387540
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CID 139100171
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CID 57045893
CID 57045893
CID 58516527
CID 58516527
CID 58988598
CID 58988598
CID 90915963
CID 90915963
CID 91155784
CID 91155784
CID 141040806
CID 141040806
CID 142751668
CID 142751668
CID 144002364
CID 144002364

Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-2-N,4-N-dimethyl-1,3-diazetidine-2,4-diimine?
The IUPAC name of 1,3-dicyclohexyl-2-N,4-N-dimethyl-1,3-diazetidine-2,4-diimine (CID 134811568) is 1,3-dicyclohexyl-2-N,4-N-dimethyl-1,3-diazetidine-2,4-diimine.
What is the SMILES notation for 1,3-dicyclohexyl-2-N,4-N-dimethyl-1,3-diazetidine-2,4-diimine?
The canonical SMILES for 1,3-dicyclohexyl-2-N,4-N-dimethyl-1,3-diazetidine-2,4-diimine is CN=C1N(C2CCCCC2)C(=NC)N1C1CCCCC1.
What is the InChIKey of 1,3-dicyclohexyl-2-N,4-N-dimethyl-1,3-diazetidine-2,4-diimine?
The InChIKey is PMBFHPWKPNCGNE-JRDMOELTSA-N. The full InChI is InChI=1S/C16H28N4/c1-17-15-19(13-9-5-3-6-10-13)16(18-2)20(15)14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3/b17-15-,18-16+.
What are the key properties of 1,3-dicyclohexyl-2-N,4-N-dimethyl-1,3-diazetidine-2,4-diimine?
1,3-dicyclohexyl-2-N,4-N-dimethyl-1,3-diazetidine-2,4-diimine has a molecular weight of 276.43 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-2-N,4-N-dimethyl-1,3-diazetidine-2,4-diimine is sourced from PubChem (CID 134811568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).