N-[(Z,3Z)-3-[2-(dimethylamino)propan-2-ylimino]hept-4-enyl]acetamide

C14H27N3O — CID 143997780

IUPACN-[(Z,3Z)-3-[2-(dimethylamino)propan-2-ylimino]hept-4-enyl]acetamide
SMILESCC/C=C\C(CCNC(C)=O)=N/C(C)(C)N(C)C
InChIInChI=1S/C14H27N3O/c1-7-8-9-13(10-11-15-12(2)18)16-14(3,4)17(5)6/h8-9H,7,10-11H2,1-6H3,(H,15,18)/b9-8-,16-13+
InChIKeyFTRGBVIOOYHXIY-GVDTUOHXSA-N
MW253.39 g/mol
LogP2.22
Rot. Bonds7

About N-[(Z,3Z)-3-[2-(dimethylamino)propan-2-ylimino]hept-4-enyl]acetamide

N-[(Z,3Z)-3-[2-(dimethylamino)propan-2-ylimino]hept-4-enyl]acetamide (PubChem CID 143997780) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(Z,3Z)-3-[2-(dimethylamino)propan-2-ylimino]hept-4-enyl]acetamide.

Molecular Properties

Compound NameN-[(Z,3Z)-3-[2-(dimethylamino)propan-2-ylimino]hept-4-enyl]acetamide
PubChem CID143997780
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-[(Z,3Z)-3-[2-(dimethylamino)propan-2-ylimino]hept-4-enyl]acetamide
SMILESCC/C=C\C(CCNC(C)=O)=N/C(C)(C)N(C)C
InChIInChI=1S/C14H27N3O/c1-7-8-9-13(10-11-15-12(2)18)16-14(3,4)17(5)6/h8-9H,7,10-11H2,1-6H3,(H,15,18)/b9-8-,16-13+
InChIKeyFTRGBVIOOYHXIY-GVDTUOHXSA-N
XLogP2.22
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide
CID 121330300
N-ethyl-2-methyl-N-[3-[[[(Z)-non-5-en-4-ylidene]amino]methylamino]propyl]butanamide
CID 123815456
N-[(Z)-2-methyliminopent-3-enyl]acetamide
CID 124182649
N-[(Z)-3-methyliminohept-4-enyl]acetamide
CID 142959972
N-(2,3-dihydropyridin-6-ylmethyl)acetamide
CID 143023357
ethane;N-[(Z)-2-methyliminohex-3-enyl]acetamide
CID 143430516
N-ethyl-2-methyl-2,3-dihydropyridine-6-carboxamide
CID 146229409
(Z)-N-ethyl-3-ethyliminohex-4-enamide;molecular hydrogen
CID 154677655
(Z)-3-methylimino-N-propan-2-ylhept-4-enamide
CID 154677754
N-[(Z)-2-(N-ethyl-C-methylcarbonimidoyl)but-2-enyl]acetamide;molecular hydrogen
CID 157037320
(Z)-2-methylimino-N-propan-2-ylhex-3-enamide
CID 170709320
2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;ethane
CID 178172502

Frequently Asked Questions

What is the IUPAC name of N-[(Z,3Z)-3-[2-(dimethylamino)propan-2-ylimino]hept-4-enyl]acetamide?
The IUPAC name of N-[(Z,3Z)-3-[2-(dimethylamino)propan-2-ylimino]hept-4-enyl]acetamide (CID 143997780) is N-[(Z,3Z)-3-[2-(dimethylamino)propan-2-ylimino]hept-4-enyl]acetamide.
What is the SMILES notation for N-[(Z,3Z)-3-[2-(dimethylamino)propan-2-ylimino]hept-4-enyl]acetamide?
The canonical SMILES for N-[(Z,3Z)-3-[2-(dimethylamino)propan-2-ylimino]hept-4-enyl]acetamide is CC/C=C\C(CCNC(C)=O)=N/C(C)(C)N(C)C.
What is the InChIKey of N-[(Z,3Z)-3-[2-(dimethylamino)propan-2-ylimino]hept-4-enyl]acetamide?
The InChIKey is FTRGBVIOOYHXIY-GVDTUOHXSA-N. The full InChI is InChI=1S/C14H27N3O/c1-7-8-9-13(10-11-15-12(2)18)16-14(3,4)17(5)6/h8-9H,7,10-11H2,1-6H3,(H,15,18)/b9-8-,16-13+.
What are the key properties of N-[(Z,3Z)-3-[2-(dimethylamino)propan-2-ylimino]hept-4-enyl]acetamide?
N-[(Z,3Z)-3-[2-(dimethylamino)propan-2-ylimino]hept-4-enyl]acetamide has a molecular weight of 253.39 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,3Z)-3-[2-(dimethylamino)propan-2-ylimino]hept-4-enyl]acetamide is sourced from PubChem (CID 143997780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).