(3E)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-ethylidene-2-iminohexanamide

C13H25N3O — CID 166986510

IUPAC(3E)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-ethylidene-2-iminohexanamide
SMILES[H]/N=C(C(=O)N[C@H](C)CN(C)C)/C(=C/C)CCC
InChIInChI=1S/C13H25N3O/c1-6-8-11(7-2)12(14)13(17)15-10(3)9-16(4)5/h7,10,14H,6,8-9H2,1-5H3,(H,15,17)/b11-7+,14-12-/t10-/m1/s1
InChIKeyZDKHANAFSDEALD-FXDKBGEXSA-N
MW239.36 g/mol
LogP1.82
Rot. Bonds7

About (3E)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-ethylidene-2-iminohexanamide

(3E)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-ethylidene-2-iminohexanamide (PubChem CID 166986510) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (3E)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-ethylidene-2-iminohexanamide.

Molecular Properties

Compound Name(3E)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-ethylidene-2-iminohexanamide
PubChem CID166986510
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(3E)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-ethylidene-2-iminohexanamide
SMILES[H]/N=C(C(=O)N[C@H](C)CN(C)C)/C(=C/C)CCC
InChIInChI=1S/C13H25N3O/c1-6-8-11(7-2)12(14)13(17)15-10(3)9-16(4)5/h7,10,14H,6,8-9H2,1-5H3,(H,15,17)/b11-7+,14-12-/t10-/m1/s1
InChIKeyZDKHANAFSDEALD-FXDKBGEXSA-N
XLogP1.82
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-ethylidene-2-iminohexanamide?
The IUPAC name of (3E)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-ethylidene-2-iminohexanamide (CID 166986510) is (3E)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-ethylidene-2-iminohexanamide.
What is the SMILES notation for (3E)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-ethylidene-2-iminohexanamide?
The canonical SMILES for (3E)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-ethylidene-2-iminohexanamide is [H]/N=C(C(=O)N[C@H](C)CN(C)C)/C(=C/C)CCC.
What is the InChIKey of (3E)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-ethylidene-2-iminohexanamide?
The InChIKey is ZDKHANAFSDEALD-FXDKBGEXSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-8-11(7-2)12(14)13(17)15-10(3)9-16(4)5/h7,10,14H,6,8-9H2,1-5H3,(H,15,17)/b11-7+,14-12-/t10-/m1/s1.
What are the key properties of (3E)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-ethylidene-2-iminohexanamide?
(3E)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-ethylidene-2-iminohexanamide has a molecular weight of 239.36 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-ethylidene-2-iminohexanamide is sourced from PubChem (CID 166986510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).