N'-[(5S)-5-methyl-6-oxoheptyl]ethanimidamide

C10H20N2O — CID 118001613

IUPACN'-[(5S)-5-methyl-6-oxoheptyl]ethanimidamide
SMILESCC(=O)[C@@H](C)CCCC/N=C(\C)N
InChIInChI=1S/C10H20N2O/c1-8(9(2)13)6-4-5-7-12-10(3)11/h8H,4-7H2,1-3H3,(H2,11,12)/t8-/m0/s1
InChIKeyHKKHIWMQFJITPK-QMMMGPOBSA-N
MW184.28 g/mol
LogP1.76
Rot. Bonds6

About N'-[(5S)-5-methyl-6-oxoheptyl]ethanimidamide

N'-[(5S)-5-methyl-6-oxoheptyl]ethanimidamide (PubChem CID 118001613) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N'-[(5S)-5-methyl-6-oxoheptyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(5S)-5-methyl-6-oxoheptyl]ethanimidamide
PubChem CID118001613
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN'-[(5S)-5-methyl-6-oxoheptyl]ethanimidamide
SMILESCC(=O)[C@@H](C)CCCC/N=C(\C)N
InChIInChI=1S/C10H20N2O/c1-8(9(2)13)6-4-5-7-12-10(3)11/h8H,4-7H2,1-3H3,(H2,11,12)/t8-/m0/s1
InChIKeyHKKHIWMQFJITPK-QMMMGPOBSA-N
XLogP1.76
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(5S)-5-methyl-6-oxoheptyl]ethanimidamide?
The IUPAC name of N'-[(5S)-5-methyl-6-oxoheptyl]ethanimidamide (CID 118001613) is N'-[(5S)-5-methyl-6-oxoheptyl]ethanimidamide.
What is the SMILES notation for N'-[(5S)-5-methyl-6-oxoheptyl]ethanimidamide?
The canonical SMILES for N'-[(5S)-5-methyl-6-oxoheptyl]ethanimidamide is CC(=O)[C@@H](C)CCCC/N=C(\C)N.
What is the InChIKey of N'-[(5S)-5-methyl-6-oxoheptyl]ethanimidamide?
The InChIKey is HKKHIWMQFJITPK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(9(2)13)6-4-5-7-12-10(3)11/h8H,4-7H2,1-3H3,(H2,11,12)/t8-/m0/s1.
What are the key properties of N'-[(5S)-5-methyl-6-oxoheptyl]ethanimidamide?
N'-[(5S)-5-methyl-6-oxoheptyl]ethanimidamide has a molecular weight of 184.28 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5S)-5-methyl-6-oxoheptyl]ethanimidamide is sourced from PubChem (CID 118001613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).