N'-(dimethylamino)-N,N-diethyl-4-methylpent-3-enimidamide

C12H25N3 — CID 23272502

IUPACN'-(dimethylamino)-N,N-diethyl-4-methylpent-3-enimidamide
SMILESCCN(CC)/C(CC=C(C)C)=N\N(C)C
InChIInChI=1S/C12H25N3/c1-7-15(8-2)12(13-14(5)6)10-9-11(3)4/h9H,7-8,10H2,1-6H3/b13-12-
InChIKeyURQHMIOPMODYON-SEYXRHQNSA-N
MW211.35 g/mol
LogP2.56
Rot. Bonds5

About N'-(dimethylamino)-N,N-diethyl-4-methylpent-3-enimidamide

N'-(dimethylamino)-N,N-diethyl-4-methylpent-3-enimidamide (PubChem CID 23272502) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N'-(dimethylamino)-N,N-diethyl-4-methylpent-3-enimidamide.

Molecular Properties

Compound NameN'-(dimethylamino)-N,N-diethyl-4-methylpent-3-enimidamide
PubChem CID23272502
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN'-(dimethylamino)-N,N-diethyl-4-methylpent-3-enimidamide
SMILESCCN(CC)/C(CC=C(C)C)=N\N(C)C
InChIInChI=1S/C12H25N3/c1-7-15(8-2)12(13-14(5)6)10-9-11(3)4/h9H,7-8,10H2,1-6H3/b13-12-
InChIKeyURQHMIOPMODYON-SEYXRHQNSA-N
XLogP2.56
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.56
H-Bond Donors ≤ 50
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(dimethylamino)-N,N-diethyl-4-methylpent-3-enimidamide with MolForge

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

Launch Full Analysis

Related Compounds

Fqtlnstuikobcg-wuzdhupesa-
CID 12576986
Fbwwiurjvnwyoc-pfondfgasa-
CID 23266559
Rywfhjyzndbshf-benrwuelsa-
CID 23272377
Yoxodfgwivdktc-gwvnssqisa-
CID 23272433
Wlazfhhgdwntgp-sqxbumsnsa-
CID 23272434
N'-butyl-N,N-diethyl-4-methylpent-3-enimidamide
CID 12709000
N,N-diethyl-4-methyl-N'-prop-2-enylpent-3-enimidamide
CID 12709002
N'-[(Z)-[1-(diethylamino)-4-methylpent-3-enylidene]amino]-N,N-diethyl-4-methylpent-3-enimidamide
CID 23266926

Frequently Asked Questions

What is the IUPAC name of N'-(dimethylamino)-N,N-diethyl-4-methylpent-3-enimidamide?
The IUPAC name of N'-(dimethylamino)-N,N-diethyl-4-methylpent-3-enimidamide (CID 23272502) is N'-(dimethylamino)-N,N-diethyl-4-methylpent-3-enimidamide.
What is the SMILES notation for N'-(dimethylamino)-N,N-diethyl-4-methylpent-3-enimidamide?
The canonical SMILES for N'-(dimethylamino)-N,N-diethyl-4-methylpent-3-enimidamide is CCN(CC)/C(CC=C(C)C)=N\N(C)C.
What is the InChIKey of N'-(dimethylamino)-N,N-diethyl-4-methylpent-3-enimidamide?
The InChIKey is URQHMIOPMODYON-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H25N3/c1-7-15(8-2)12(13-14(5)6)10-9-11(3)4/h9H,7-8,10H2,1-6H3/b13-12-.
What are the key properties of N'-(dimethylamino)-N,N-diethyl-4-methylpent-3-enimidamide?
N'-(dimethylamino)-N,N-diethyl-4-methylpent-3-enimidamide has a molecular weight of 211.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(dimethylamino)-N,N-diethyl-4-methylpent-3-enimidamide is sourced from PubChem (CID 23272502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).