5-[3-(cyclohexylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C16H26N4O3 — CID 7285011

IUPAC5-[3-(cyclohexylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(/C=N/CCCNC2CCCCC2)C(=O)N(C)C1=O
InChIInChI=1S/C16H26N4O3/c1-19-14(21)13(15(22)20(2)16(19)23)11-17-9-6-10-18-12-7-4-3-5-8-12/h11-13,18H,3-10H2,1-2H3/b17-11+
InChIKeyZWWBXCPYVCMUHL-GZTJUZNOSA-N
MW322.41 g/mol
LogP1.04
Rot. Bonds6

About 5-[3-(cyclohexylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-[3-(cyclohexylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 7285011) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-[3-(cyclohexylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[3-(cyclohexylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID7285011
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name5-[3-(cyclohexylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(/C=N/CCCNC2CCCCC2)C(=O)N(C)C1=O
InChIInChI=1S/C16H26N4O3/c1-19-14(21)13(15(22)20(2)16(19)23)11-17-9-6-10-18-12-7-4-3-5-8-12/h11-13,18H,3-10H2,1-2H3/b17-11+
InChIKeyZWWBXCPYVCMUHL-GZTJUZNOSA-N
XLogP1.04
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclohexylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[3-(cyclohexylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 7285011) is 5-[3-(cyclohexylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[3-(cyclohexylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[3-(cyclohexylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CN1C(=O)C(/C=N/CCCNC2CCCCC2)C(=O)N(C)C1=O.
What is the InChIKey of 5-[3-(cyclohexylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is ZWWBXCPYVCMUHL-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-19-14(21)13(15(22)20(2)16(19)23)11-17-9-6-10-18-12-7-4-3-5-8-12/h11-13,18H,3-10H2,1-2H3/b17-11+.
What are the key properties of 5-[3-(cyclohexylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[3-(cyclohexylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 322.41 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclohexylamino)propyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7285011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).