(propan-2-ylideneamino) N-acetyl-N,N'-dicyclohexylcarbamimidate

C18H31N3O2 — CID 86664643

IUPAC(propan-2-ylideneamino) N-acetyl-N,N'-dicyclohexylcarbamimidate
SMILESCC(=O)N(/C(=N/C1CCCCC1)ON=C(C)C)C1CCCCC1
InChIInChI=1S/C18H31N3O2/c1-14(2)20-23-18(19-16-10-6-4-7-11-16)21(15(3)22)17-12-8-5-9-13-17/h16-17H,4-13H2,1-3H3/b19-18-
InChIKeyRVQYFTJAXMGPNS-HNENSFHCSA-N
MW321.47 g/mol
LogP4.27
Rot. Bonds3

About (propan-2-ylideneamino) N-acetyl-N,N'-dicyclohexylcarbamimidate

(propan-2-ylideneamino) N-acetyl-N,N'-dicyclohexylcarbamimidate (PubChem CID 86664643) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is (propan-2-ylideneamino) N-acetyl-N,N'-dicyclohexylcarbamimidate.

Molecular Properties

Compound Name(propan-2-ylideneamino) N-acetyl-N,N'-dicyclohexylcarbamimidate
PubChem CID86664643
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name(propan-2-ylideneamino) N-acetyl-N,N'-dicyclohexylcarbamimidate
SMILESCC(=O)N(/C(=N/C1CCCCC1)ON=C(C)C)C1CCCCC1
InChIInChI=1S/C18H31N3O2/c1-14(2)20-23-18(19-16-10-6-4-7-11-16)21(15(3)22)17-12-8-5-9-13-17/h16-17H,4-13H2,1-3H3/b19-18-
InChIKeyRVQYFTJAXMGPNS-HNENSFHCSA-N
XLogP4.27
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze (propan-2-ylideneamino) N-acetyl-N,N'-dicyclohexylcarbamimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (propan-2-ylideneamino) N-acetyl-N,N'-dicyclohexylcarbamimidate?
The IUPAC name of (propan-2-ylideneamino) N-acetyl-N,N'-dicyclohexylcarbamimidate (CID 86664643) is (propan-2-ylideneamino) N-acetyl-N,N'-dicyclohexylcarbamimidate.
What is the SMILES notation for (propan-2-ylideneamino) N-acetyl-N,N'-dicyclohexylcarbamimidate?
The canonical SMILES for (propan-2-ylideneamino) N-acetyl-N,N'-dicyclohexylcarbamimidate is CC(=O)N(/C(=N/C1CCCCC1)ON=C(C)C)C1CCCCC1.
What is the InChIKey of (propan-2-ylideneamino) N-acetyl-N,N'-dicyclohexylcarbamimidate?
The InChIKey is RVQYFTJAXMGPNS-HNENSFHCSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-14(2)20-23-18(19-16-10-6-4-7-11-16)21(15(3)22)17-12-8-5-9-13-17/h16-17H,4-13H2,1-3H3/b19-18-.
What are the key properties of (propan-2-ylideneamino) N-acetyl-N,N'-dicyclohexylcarbamimidate?
(propan-2-ylideneamino) N-acetyl-N,N'-dicyclohexylcarbamimidate has a molecular weight of 321.47 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (propan-2-ylideneamino) N-acetyl-N,N'-dicyclohexylcarbamimidate is sourced from PubChem (CID 86664643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).