1-cyclopentyl-2-imino-3-methanimidoyl-4,6,6-trimethyl-1,4-diazepan-5-one

C14H24N4O — CID 123376975

IUPAC1-cyclopentyl-2-imino-3-methanimidoyl-4,6,6-trimethyl-1,4-diazepan-5-one
SMILES[H]/N=C/C1/C(=N\[H])N(C2CCCC2)CC(C)(C)C(=O)N1C
InChIInChI=1S/C14H24N4O/c1-14(2)9-18(10-6-4-5-7-10)12(16)11(8-15)17(3)13(14)19/h8,10-11,15-16H,4-7,9H2,1-3H3/b15-8+,16-12+
InChIKeyHTBIMQBKWYSOEK-HLETWVSPSA-N
MW264.37 g/mol
LogP1.72
Rot. Bonds2

About 1-cyclopentyl-2-imino-3-methanimidoyl-4,6,6-trimethyl-1,4-diazepan-5-one

1-cyclopentyl-2-imino-3-methanimidoyl-4,6,6-trimethyl-1,4-diazepan-5-one (PubChem CID 123376975) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-cyclopentyl-2-imino-3-methanimidoyl-4,6,6-trimethyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-cyclopentyl-2-imino-3-methanimidoyl-4,6,6-trimethyl-1,4-diazepan-5-one
PubChem CID123376975
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-cyclopentyl-2-imino-3-methanimidoyl-4,6,6-trimethyl-1,4-diazepan-5-one
SMILES[H]/N=C/C1/C(=N\[H])N(C2CCCC2)CC(C)(C)C(=O)N1C
InChIInChI=1S/C14H24N4O/c1-14(2)9-18(10-6-4-5-7-10)12(16)11(8-15)17(3)13(14)19/h8,10-11,15-16H,4-7,9H2,1-3H3/b15-8+,16-12+
InChIKeyHTBIMQBKWYSOEK-HLETWVSPSA-N
XLogP1.72
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-imino-3-methanimidoyl-4,6,6-trimethyl-1,4-diazepan-5-one?
The IUPAC name of 1-cyclopentyl-2-imino-3-methanimidoyl-4,6,6-trimethyl-1,4-diazepan-5-one (CID 123376975) is 1-cyclopentyl-2-imino-3-methanimidoyl-4,6,6-trimethyl-1,4-diazepan-5-one.
What is the SMILES notation for 1-cyclopentyl-2-imino-3-methanimidoyl-4,6,6-trimethyl-1,4-diazepan-5-one?
The canonical SMILES for 1-cyclopentyl-2-imino-3-methanimidoyl-4,6,6-trimethyl-1,4-diazepan-5-one is [H]/N=C/C1/C(=N\[H])N(C2CCCC2)CC(C)(C)C(=O)N1C.
What is the InChIKey of 1-cyclopentyl-2-imino-3-methanimidoyl-4,6,6-trimethyl-1,4-diazepan-5-one?
The InChIKey is HTBIMQBKWYSOEK-HLETWVSPSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(2)9-18(10-6-4-5-7-10)12(16)11(8-15)17(3)13(14)19/h8,10-11,15-16H,4-7,9H2,1-3H3/b15-8+,16-12+.
What are the key properties of 1-cyclopentyl-2-imino-3-methanimidoyl-4,6,6-trimethyl-1,4-diazepan-5-one?
1-cyclopentyl-2-imino-3-methanimidoyl-4,6,6-trimethyl-1,4-diazepan-5-one has a molecular weight of 264.37 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-imino-3-methanimidoyl-4,6,6-trimethyl-1,4-diazepan-5-one is sourced from PubChem (CID 123376975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).