(benzylideneamino) N,N'-dicyclohexylcarbamimidate

C20H29N3O — CID 91602803

IUPAC(benzylideneamino) N,N'-dicyclohexylcarbamimidate
SMILESC(=NO/C(=N\C1CCCCC1)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C20H29N3O/c1-4-10-17(11-5-1)16-21-24-20(22-18-12-6-2-7-13-18)23-19-14-8-3-9-15-19/h1,4-5,10-11,16,18-19H,2-3,6-9,12-15H2,(H,22,23)
InChIKeyOXPRVYYOWBTMNC-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.65
Rot. Bonds4

About (benzylideneamino) N,N'-dicyclohexylcarbamimidate

(benzylideneamino) N,N'-dicyclohexylcarbamimidate (PubChem CID 91602803) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is (benzylideneamino) N,N'-dicyclohexylcarbamimidate.

Molecular Properties

Compound Name(benzylideneamino) N,N'-dicyclohexylcarbamimidate
PubChem CID91602803
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name(benzylideneamino) N,N'-dicyclohexylcarbamimidate
SMILESC(=NO/C(=N\C1CCCCC1)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C20H29N3O/c1-4-10-17(11-5-1)16-21-24-20(22-18-12-6-2-7-13-18)23-19-14-8-3-9-15-19/h1,4-5,10-11,16,18-19H,2-3,6-9,12-15H2,(H,22,23)
InChIKeyOXPRVYYOWBTMNC-UHFFFAOYSA-N
XLogP4.65
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 (benzylideneamino) N,N'-dicyclohexylcarbamimidate?
The IUPAC name of (benzylideneamino) N,N'-dicyclohexylcarbamimidate (CID 91602803) is (benzylideneamino) N,N'-dicyclohexylcarbamimidate.
What is the SMILES notation for (benzylideneamino) N,N'-dicyclohexylcarbamimidate?
The canonical SMILES for (benzylideneamino) N,N'-dicyclohexylcarbamimidate is C(=NO/C(=N\C1CCCCC1)NC1CCCCC1)c1ccccc1.
What is the InChIKey of (benzylideneamino) N,N'-dicyclohexylcarbamimidate?
The InChIKey is OXPRVYYOWBTMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-4-10-17(11-5-1)16-21-24-20(22-18-12-6-2-7-13-18)23-19-14-8-3-9-15-19/h1,4-5,10-11,16,18-19H,2-3,6-9,12-15H2,(H,22,23).
What are the key properties of (benzylideneamino) N,N'-dicyclohexylcarbamimidate?
(benzylideneamino) N,N'-dicyclohexylcarbamimidate has a molecular weight of 327.47 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (benzylideneamino) N,N'-dicyclohexylcarbamimidate is sourced from PubChem (CID 91602803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).