(3S,4S)-6-amino-N'-ethenyl-4-ethyl-3-methylhexanimidamide

C11H23N3 — CID 174089878

IUPAC(3S,4S)-6-amino-N'-ethenyl-4-ethyl-3-methylhexanimidamide
SMILESC=C/N=C(\N)C[C@H](C)[C@@H](CC)CCN
InChIInChI=1S/C11H23N3/c1-4-10(6-7-12)9(3)8-11(13)14-5-2/h5,9-10H,2,4,6-8,12H2,1,3H3,(H2,13,14)/t9-,10-/m0/s1
InChIKeyUTFWDEMANPZMJP-UWVGGRQHSA-N
MW197.33 g/mol
LogP1.89
Rot. Bonds7

About (3S,4S)-6-amino-N'-ethenyl-4-ethyl-3-methylhexanimidamide

(3S,4S)-6-amino-N'-ethenyl-4-ethyl-3-methylhexanimidamide (PubChem CID 174089878) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is (3S,4S)-6-amino-N'-ethenyl-4-ethyl-3-methylhexanimidamide.

Molecular Properties

Compound Name(3S,4S)-6-amino-N'-ethenyl-4-ethyl-3-methylhexanimidamide
PubChem CID174089878
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name(3S,4S)-6-amino-N'-ethenyl-4-ethyl-3-methylhexanimidamide
SMILESC=C/N=C(\N)C[C@H](C)[C@@H](CC)CCN
InChIInChI=1S/C11H23N3/c1-4-10(6-7-12)9(3)8-11(13)14-5-2/h5,9-10H,2,4,6-8,12H2,1,3H3,(H2,13,14)/t9-,10-/m0/s1
InChIKeyUTFWDEMANPZMJP-UWVGGRQHSA-N
XLogP1.89
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.89
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'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-6-amino-N'-ethenyl-4-ethyl-3-methylhexanimidamide?
The IUPAC name of (3S,4S)-6-amino-N'-ethenyl-4-ethyl-3-methylhexanimidamide (CID 174089878) is (3S,4S)-6-amino-N'-ethenyl-4-ethyl-3-methylhexanimidamide.
What is the SMILES notation for (3S,4S)-6-amino-N'-ethenyl-4-ethyl-3-methylhexanimidamide?
The canonical SMILES for (3S,4S)-6-amino-N'-ethenyl-4-ethyl-3-methylhexanimidamide is C=C/N=C(\N)C[C@H](C)[C@@H](CC)CCN.
What is the InChIKey of (3S,4S)-6-amino-N'-ethenyl-4-ethyl-3-methylhexanimidamide?
The InChIKey is UTFWDEMANPZMJP-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H23N3/c1-4-10(6-7-12)9(3)8-11(13)14-5-2/h5,9-10H,2,4,6-8,12H2,1,3H3,(H2,13,14)/t9-,10-/m0/s1.
What are the key properties of (3S,4S)-6-amino-N'-ethenyl-4-ethyl-3-methylhexanimidamide?
(3S,4S)-6-amino-N'-ethenyl-4-ethyl-3-methylhexanimidamide has a molecular weight of 197.33 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-6-amino-N'-ethenyl-4-ethyl-3-methylhexanimidamide is sourced from PubChem (CID 174089878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).