N-[(Z)-1-(ethenylamino)-3-methylpent-1-en-2-yl]-N,N'-dimethylethanimidamide

C12H23N3 — CID 176971098

IUPACN-[(Z)-1-(ethenylamino)-3-methylpent-1-en-2-yl]-N,N'-dimethylethanimidamide
SMILESC=CN/C=C(/C(C)CC)N(C)/C(C)=N/C
InChIInChI=1S/C12H23N3/c1-7-10(3)12(9-14-8-2)15(6)11(4)13-5/h8-10,14H,2,7H2,1,3-6H3/b12-9-,13-11+
InChIKeyDPGSKIGZAYSUSR-GKRPZIRTSA-N
MW209.34 g/mol
LogP2.59
Rot. Bonds5

About N-[(Z)-1-(ethenylamino)-3-methylpent-1-en-2-yl]-N,N'-dimethylethanimidamide

N-[(Z)-1-(ethenylamino)-3-methylpent-1-en-2-yl]-N,N'-dimethylethanimidamide (PubChem CID 176971098) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-[(Z)-1-(ethenylamino)-3-methylpent-1-en-2-yl]-N,N'-dimethylethanimidamide.

Molecular Properties

Compound NameN-[(Z)-1-(ethenylamino)-3-methylpent-1-en-2-yl]-N,N'-dimethylethanimidamide
PubChem CID176971098
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-[(Z)-1-(ethenylamino)-3-methylpent-1-en-2-yl]-N,N'-dimethylethanimidamide
SMILESC=CN/C=C(/C(C)CC)N(C)/C(C)=N/C
InChIInChI=1S/C12H23N3/c1-7-10(3)12(9-14-8-2)15(6)11(4)13-5/h8-10,14H,2,7H2,1,3-6H3/b12-9-,13-11+
InChIKeyDPGSKIGZAYSUSR-GKRPZIRTSA-N
XLogP2.59
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.59
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'}

Analyze N-[(Z)-1-(ethenylamino)-3-methylpent-1-en-2-yl]-N,N'-dimethylethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(ethenylamino)-3-methylpent-1-en-2-yl]-N,N'-dimethylethanimidamide?
The IUPAC name of N-[(Z)-1-(ethenylamino)-3-methylpent-1-en-2-yl]-N,N'-dimethylethanimidamide (CID 176971098) is N-[(Z)-1-(ethenylamino)-3-methylpent-1-en-2-yl]-N,N'-dimethylethanimidamide.
What is the SMILES notation for N-[(Z)-1-(ethenylamino)-3-methylpent-1-en-2-yl]-N,N'-dimethylethanimidamide?
The canonical SMILES for N-[(Z)-1-(ethenylamino)-3-methylpent-1-en-2-yl]-N,N'-dimethylethanimidamide is C=CN/C=C(/C(C)CC)N(C)/C(C)=N/C.
What is the InChIKey of N-[(Z)-1-(ethenylamino)-3-methylpent-1-en-2-yl]-N,N'-dimethylethanimidamide?
The InChIKey is DPGSKIGZAYSUSR-GKRPZIRTSA-N. The full InChI is InChI=1S/C12H23N3/c1-7-10(3)12(9-14-8-2)15(6)11(4)13-5/h8-10,14H,2,7H2,1,3-6H3/b12-9-,13-11+.
What are the key properties of N-[(Z)-1-(ethenylamino)-3-methylpent-1-en-2-yl]-N,N'-dimethylethanimidamide?
N-[(Z)-1-(ethenylamino)-3-methylpent-1-en-2-yl]-N,N'-dimethylethanimidamide has a molecular weight of 209.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(ethenylamino)-3-methylpent-1-en-2-yl]-N,N'-dimethylethanimidamide is sourced from PubChem (CID 176971098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).