N'-[(4S)-4-amino-6-methyl-5-oxoheptyl]ethanimidamide

C10H21N3O — CID 89254735

IUPACN'-[(4S)-4-amino-6-methyl-5-oxoheptyl]ethanimidamide
SMILESC/C(N)=N\CCC[C@H](N)C(=O)C(C)C
InChIInChI=1S/C10H21N3O/c1-7(2)10(14)9(12)5-4-6-13-8(3)11/h7,9H,4-6,12H2,1-3H3,(H2,11,13)/t9-/m0/s1
InChIKeyVLYYDFCDNJUGHE-VIFPVBQESA-N
MW199.30 g/mol
LogP0.70
Rot. Bonds6

About N'-[(4S)-4-amino-6-methyl-5-oxoheptyl]ethanimidamide

N'-[(4S)-4-amino-6-methyl-5-oxoheptyl]ethanimidamide (PubChem CID 89254735) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N'-[(4S)-4-amino-6-methyl-5-oxoheptyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(4S)-4-amino-6-methyl-5-oxoheptyl]ethanimidamide
PubChem CID89254735
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN'-[(4S)-4-amino-6-methyl-5-oxoheptyl]ethanimidamide
SMILESC/C(N)=N\CCC[C@H](N)C(=O)C(C)C
InChIInChI=1S/C10H21N3O/c1-7(2)10(14)9(12)5-4-6-13-8(3)11/h7,9H,4-6,12H2,1-3H3,(H2,11,13)/t9-/m0/s1
InChIKeyVLYYDFCDNJUGHE-VIFPVBQESA-N
XLogP0.70
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-[(4S)-4-amino-6-methyl-5-oxoheptyl]ethanimidamide?
The IUPAC name of N'-[(4S)-4-amino-6-methyl-5-oxoheptyl]ethanimidamide (CID 89254735) is N'-[(4S)-4-amino-6-methyl-5-oxoheptyl]ethanimidamide.
What is the SMILES notation for N'-[(4S)-4-amino-6-methyl-5-oxoheptyl]ethanimidamide?
The canonical SMILES for N'-[(4S)-4-amino-6-methyl-5-oxoheptyl]ethanimidamide is C/C(N)=N\CCC[C@H](N)C(=O)C(C)C.
What is the InChIKey of N'-[(4S)-4-amino-6-methyl-5-oxoheptyl]ethanimidamide?
The InChIKey is VLYYDFCDNJUGHE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21N3O/c1-7(2)10(14)9(12)5-4-6-13-8(3)11/h7,9H,4-6,12H2,1-3H3,(H2,11,13)/t9-/m0/s1.
What are the key properties of N'-[(4S)-4-amino-6-methyl-5-oxoheptyl]ethanimidamide?
N'-[(4S)-4-amino-6-methyl-5-oxoheptyl]ethanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4S)-4-amino-6-methyl-5-oxoheptyl]ethanimidamide is sourced from PubChem (CID 89254735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).