(3S)-N'-ethenyl-4-ethyl-3-methyl-6-(methylamino)hexanimidamide

C12H25N3 — CID 174089882

IUPAC(3S)-N'-ethenyl-4-ethyl-3-methyl-6-(methylamino)hexanimidamide
SMILESC=C/N=C(\N)C[C@H](C)C(CC)CCNC
InChIInChI=1S/C12H25N3/c1-5-11(7-8-14-4)10(3)9-12(13)15-6-2/h6,10-11,14H,2,5,7-9H2,1,3-4H3,(H2,13,15)/t10-,11?/m0/s1
InChIKeyGVBKSUJFGUXBDW-VUWPPUDQSA-N
MW211.35 g/mol
LogP2.15
Rot. Bonds8

About (3S)-N'-ethenyl-4-ethyl-3-methyl-6-(methylamino)hexanimidamide

(3S)-N'-ethenyl-4-ethyl-3-methyl-6-(methylamino)hexanimidamide (PubChem CID 174089882) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is (3S)-N'-ethenyl-4-ethyl-3-methyl-6-(methylamino)hexanimidamide.

Molecular Properties

Compound Name(3S)-N'-ethenyl-4-ethyl-3-methyl-6-(methylamino)hexanimidamide
PubChem CID174089882
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name(3S)-N'-ethenyl-4-ethyl-3-methyl-6-(methylamino)hexanimidamide
SMILESC=C/N=C(\N)C[C@H](C)C(CC)CCNC
InChIInChI=1S/C12H25N3/c1-5-11(7-8-14-4)10(3)9-12(13)15-6-2/h6,10-11,14H,2,5,7-9H2,1,3-4H3,(H2,13,15)/t10-,11?/m0/s1
InChIKeyGVBKSUJFGUXBDW-VUWPPUDQSA-N
XLogP2.15
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.15
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)-N'-ethenyl-4-ethyl-3-methyl-6-(methylamino)hexanimidamide?
The IUPAC name of (3S)-N'-ethenyl-4-ethyl-3-methyl-6-(methylamino)hexanimidamide (CID 174089882) is (3S)-N'-ethenyl-4-ethyl-3-methyl-6-(methylamino)hexanimidamide.
What is the SMILES notation for (3S)-N'-ethenyl-4-ethyl-3-methyl-6-(methylamino)hexanimidamide?
The canonical SMILES for (3S)-N'-ethenyl-4-ethyl-3-methyl-6-(methylamino)hexanimidamide is C=C/N=C(\N)C[C@H](C)C(CC)CCNC.
What is the InChIKey of (3S)-N'-ethenyl-4-ethyl-3-methyl-6-(methylamino)hexanimidamide?
The InChIKey is GVBKSUJFGUXBDW-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H25N3/c1-5-11(7-8-14-4)10(3)9-12(13)15-6-2/h6,10-11,14H,2,5,7-9H2,1,3-4H3,(H2,13,15)/t10-,11?/m0/s1.
What are the key properties of (3S)-N'-ethenyl-4-ethyl-3-methyl-6-(methylamino)hexanimidamide?
(3S)-N'-ethenyl-4-ethyl-3-methyl-6-(methylamino)hexanimidamide has a molecular weight of 211.35 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N'-ethenyl-4-ethyl-3-methyl-6-(methylamino)hexanimidamide is sourced from PubChem (CID 174089882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).