N-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-N'-ethylpropanimidamide

C11H21N3 — CID 134202741

IUPACN-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-N'-ethylpropanimidamide
SMILESC=C(/C=C\N(C)C)N/C(CC)=N/CC
InChIInChI=1S/C11H21N3/c1-6-11(12-7-2)13-10(3)8-9-14(4)5/h8-9H,3,6-7H2,1-2,4-5H3,(H,12,13)/b9-8-
InChIKeyHGAUQRDNPBRUFB-HJWRWDBZSA-N
MW195.31 g/mol
LogP1.99
Rot. Bonds5

About N-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-N'-ethylpropanimidamide

N-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-N'-ethylpropanimidamide (PubChem CID 134202741) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-N'-ethylpropanimidamide.

Molecular Properties

Compound NameN-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-N'-ethylpropanimidamide
PubChem CID134202741
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-N'-ethylpropanimidamide
SMILESC=C(/C=C\N(C)C)N/C(CC)=N/CC
InChIInChI=1S/C11H21N3/c1-6-11(12-7-2)13-10(3)8-9-14(4)5/h8-9H,3,6-7H2,1-2,4-5H3,(H,12,13)/b9-8-
InChIKeyHGAUQRDNPBRUFB-HJWRWDBZSA-N
XLogP1.99
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-N'-ethylpropanimidamide?
The IUPAC name of N-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-N'-ethylpropanimidamide (CID 134202741) is N-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-N'-ethylpropanimidamide.
What is the SMILES notation for N-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-N'-ethylpropanimidamide?
The canonical SMILES for N-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-N'-ethylpropanimidamide is C=C(/C=C\N(C)C)N/C(CC)=N/CC.
What is the InChIKey of N-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-N'-ethylpropanimidamide?
The InChIKey is HGAUQRDNPBRUFB-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H21N3/c1-6-11(12-7-2)13-10(3)8-9-14(4)5/h8-9H,3,6-7H2,1-2,4-5H3,(H,12,13)/b9-8-.
What are the key properties of N-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-N'-ethylpropanimidamide?
N-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-N'-ethylpropanimidamide has a molecular weight of 195.31 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-N'-ethylpropanimidamide is sourced from PubChem (CID 134202741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).