(Z)-N-ethyl-2,5-diimino-N-propan-2-ylhex-3-enamide

C11H19N3O — CID 145282443

IUPAC(Z)-N-ethyl-2,5-diimino-N-propan-2-ylhex-3-enamide
SMILES[H]/N=C(/C=C\C(C)=N\[H])C(=O)N(CC)C(C)C
InChIInChI=1S/C11H19N3O/c1-5-14(8(2)3)11(15)10(13)7-6-9(4)12/h6-8,12-13H,5H2,1-4H3/b7-6-,12-9+,13-10-
InChIKeyAFWANDZWNBRRAV-HRVCFGKZSA-N
MW209.29 g/mol
LogP1.86
Rot. Bonds5

About (Z)-N-ethyl-2,5-diimino-N-propan-2-ylhex-3-enamide

(Z)-N-ethyl-2,5-diimino-N-propan-2-ylhex-3-enamide (PubChem CID 145282443) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (Z)-N-ethyl-2,5-diimino-N-propan-2-ylhex-3-enamide.

Molecular Properties

Compound Name(Z)-N-ethyl-2,5-diimino-N-propan-2-ylhex-3-enamide
PubChem CID145282443
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(Z)-N-ethyl-2,5-diimino-N-propan-2-ylhex-3-enamide
SMILES[H]/N=C(/C=C\C(C)=N\[H])C(=O)N(CC)C(C)C
InChIInChI=1S/C11H19N3O/c1-5-14(8(2)3)11(15)10(13)7-6-9(4)12/h6-8,12-13H,5H2,1-4H3/b7-6-,12-9+,13-10-
InChIKeyAFWANDZWNBRRAV-HRVCFGKZSA-N
XLogP1.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide
CID 123673961
(Z)-2-imino-N-methyl-N-propan-2-ylpent-3-enamide
CID 123921962
N,N-diethyl-2,3-dihydropyridine-6-carboxamide
CID 123947366
N-[(3S,5E)-4-iminonona-5,8-dien-3-yl]-N-methylpropanamide
CID 137466839
ethane;N-[(Z)-2-methyliminohex-3-enyl]acetamide
CID 143430516
N-ethyl-N,2-dimethyl-2,3-dihydropyridine-6-carboxamide
CID 143639624
2-amino-N-methyl-N-[(Z)-2-methyliminohex-3-enyl]propanamide
CID 144330488
(E)-N-ethyl-4-imino-N-methylpent-2-enamide
CID 155037532
2-imino-N,N-dipropylbut-3-enamide
CID 163733264
N-[(Z)-3-iminobut-1-enyl]-N-propan-2-ylacetamide
CID 167146385
ethane;(Z)-2-ethylimino-N-methylpent-3-enamide;molecular hydrogen
CID 168913345
(Z)-2-methylimino-N-propan-2-ylhex-3-enamide
CID 170709320

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-2,5-diimino-N-propan-2-ylhex-3-enamide?
The IUPAC name of (Z)-N-ethyl-2,5-diimino-N-propan-2-ylhex-3-enamide (CID 145282443) is (Z)-N-ethyl-2,5-diimino-N-propan-2-ylhex-3-enamide.
What is the SMILES notation for (Z)-N-ethyl-2,5-diimino-N-propan-2-ylhex-3-enamide?
The canonical SMILES for (Z)-N-ethyl-2,5-diimino-N-propan-2-ylhex-3-enamide is [H]/N=C(/C=C\C(C)=N\[H])C(=O)N(CC)C(C)C.
What is the InChIKey of (Z)-N-ethyl-2,5-diimino-N-propan-2-ylhex-3-enamide?
The InChIKey is AFWANDZWNBRRAV-HRVCFGKZSA-N. The full InChI is InChI=1S/C11H19N3O/c1-5-14(8(2)3)11(15)10(13)7-6-9(4)12/h6-8,12-13H,5H2,1-4H3/b7-6-,12-9+,13-10-.
What are the key properties of (Z)-N-ethyl-2,5-diimino-N-propan-2-ylhex-3-enamide?
(Z)-N-ethyl-2,5-diimino-N-propan-2-ylhex-3-enamide has a molecular weight of 209.29 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-2,5-diimino-N-propan-2-ylhex-3-enamide is sourced from PubChem (CID 145282443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).