N'-[(Z,6R)-6-amino-2-methylhept-2-enyl]ethanimidamide

C10H21N3 — CID 59072782

IUPACN'-[(Z,6R)-6-amino-2-methylhept-2-enyl]ethanimidamide
SMILESC/C(=C/CC[C@@H](C)N)C/N=C(\C)N
InChIInChI=1S/C10H21N3/c1-8(7-13-10(3)12)5-4-6-9(2)11/h5,9H,4,6-7,11H2,1-3H3,(H2,12,13)/b8-5-/t9-/m1/s1
InChIKeyOZFUZOJXMALCLP-BZJXQOFCSA-N
MW183.30 g/mol
LogP1.44
Rot. Bonds5

About N'-[(Z,6R)-6-amino-2-methylhept-2-enyl]ethanimidamide

N'-[(Z,6R)-6-amino-2-methylhept-2-enyl]ethanimidamide (PubChem CID 59072782) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is N'-[(Z,6R)-6-amino-2-methylhept-2-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(Z,6R)-6-amino-2-methylhept-2-enyl]ethanimidamide
PubChem CID59072782
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC NameN'-[(Z,6R)-6-amino-2-methylhept-2-enyl]ethanimidamide
SMILESC/C(=C/CC[C@@H](C)N)C/N=C(\C)N
InChIInChI=1S/C10H21N3/c1-8(7-13-10(3)12)5-4-6-9(2)11/h5,9H,4,6-7,11H2,1-3H3,(H2,12,13)/b8-5-/t9-/m1/s1
InChIKeyOZFUZOJXMALCLP-BZJXQOFCSA-N
XLogP1.44
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z,6R)-6-amino-2-methylhept-2-enyl]ethanimidamide?
The IUPAC name of N'-[(Z,6R)-6-amino-2-methylhept-2-enyl]ethanimidamide (CID 59072782) is N'-[(Z,6R)-6-amino-2-methylhept-2-enyl]ethanimidamide.
What is the SMILES notation for N'-[(Z,6R)-6-amino-2-methylhept-2-enyl]ethanimidamide?
The canonical SMILES for N'-[(Z,6R)-6-amino-2-methylhept-2-enyl]ethanimidamide is C/C(=C/CC[C@@H](C)N)C/N=C(\C)N.
What is the InChIKey of N'-[(Z,6R)-6-amino-2-methylhept-2-enyl]ethanimidamide?
The InChIKey is OZFUZOJXMALCLP-BZJXQOFCSA-N. The full InChI is InChI=1S/C10H21N3/c1-8(7-13-10(3)12)5-4-6-9(2)11/h5,9H,4,6-7,11H2,1-3H3,(H2,12,13)/b8-5-/t9-/m1/s1.
What are the key properties of N'-[(Z,6R)-6-amino-2-methylhept-2-enyl]ethanimidamide?
N'-[(Z,6R)-6-amino-2-methylhept-2-enyl]ethanimidamide has a molecular weight of 183.30 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z,6R)-6-amino-2-methylhept-2-enyl]ethanimidamide is sourced from PubChem (CID 59072782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).