(Z)-N-butan-2-yl-5-butan-2-ylimino-N-dideuterioalumanylhept-3-en-3-amine

C15H31AlN2 — CID 154587304

IUPAC(Z)-N-butan-2-yl-5-butan-2-ylimino-N-dideuterioalumanylhept-3-en-3-amine
SMILES[2H][Al]([2H])N(/C(=C\C(CC)=N\C(C)CC)CC)C(C)CC
InChIInChI=1S/C15H29N2.Al.2H/c1-7-12(5)16-14(9-3)11-15(10-4)17-13(6)8-2;;;/h11-13H,7-10H2,1-6H3;;;/q-1;+1;;/b14-11-,17-15+;;;/i;;2*1+1
InChIKeyPMKNUJIKJNDEQV-MUUQVYOPSA-N
MW268.42 g/mol
LogP3.58
Rot. Bonds9

About (Z)-N-butan-2-yl-5-butan-2-ylimino-N-dideuterioalumanylhept-3-en-3-amine

(Z)-N-butan-2-yl-5-butan-2-ylimino-N-dideuterioalumanylhept-3-en-3-amine (PubChem CID 154587304) has the molecular formula C15H31AlN2 and a molecular weight of 268.42 g/mol. Its IUPAC name is (Z)-N-butan-2-yl-5-butan-2-ylimino-N-dideuterioalumanylhept-3-en-3-amine.

Molecular Properties

Compound Name(Z)-N-butan-2-yl-5-butan-2-ylimino-N-dideuterioalumanylhept-3-en-3-amine
PubChem CID154587304
Molecular FormulaC15H31AlN2
Molecular Weight268.42 g/mol
Exact Mass268.24
IUPAC Name(Z)-N-butan-2-yl-5-butan-2-ylimino-N-dideuterioalumanylhept-3-en-3-amine
SMILES[2H][Al]([2H])N(/C(=C\C(CC)=N\C(C)CC)CC)C(C)CC
InChIInChI=1S/C15H29N2.Al.2H/c1-7-12(5)16-14(9-3)11-15(10-4)17-13(6)8-2;;;/h11-13H,7-10H2,1-6H3;;;/q-1;+1;;/b14-11-,17-15+;;;/i;;2*1+1
InChIKeyPMKNUJIKJNDEQV-MUUQVYOPSA-N
XLogP3.58
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-butan-2-yl-5-butan-2-ylimino-N-dideuterioalumanylhept-3-en-3-amine 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

ethyl-[(Z)-5-[ethyl(methyl)amino]-1,7-difluorohept-4-en-3-ylidene]-methylazanium
CID 156677165
[(Z)-5-[ethyl(methyl)amino]-1,7-difluorohept-4-en-3-ylidene]-dimethylazanium
CID 156677170
[(Z)-1,7-difluoro-5-[methyl(propyl)amino]hept-4-en-3-ylidene]-methyl-propylazanium
CID 156677182
Ethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium
CID 123564650
(Z)-N-diethylalumanyl-N-methyl-5-methyliminohept-3-en-3-amine
CID 147679532
(Z)-N-diethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine
CID 148722617
(Z)-N-diethylalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
CID 153097017
(Z)-N-butan-2-yl-5-butan-2-ylimino-N-[chloro(propan-2-yl)alumanyl]hept-3-en-3-amine
CID 154587302
(Z)-N-dichloroalumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 154587303
(Z)-N-dideuterioalumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 154587306
(Z)-N-dichloroalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 154587308
(Z)-N-[chloro(deuterio)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 154587310

Frequently Asked Questions

What is the IUPAC name of (Z)-N-butan-2-yl-5-butan-2-ylimino-N-dideuterioalumanylhept-3-en-3-amine?
The IUPAC name of (Z)-N-butan-2-yl-5-butan-2-ylimino-N-dideuterioalumanylhept-3-en-3-amine (CID 154587304) is (Z)-N-butan-2-yl-5-butan-2-ylimino-N-dideuterioalumanylhept-3-en-3-amine.
What is the SMILES notation for (Z)-N-butan-2-yl-5-butan-2-ylimino-N-dideuterioalumanylhept-3-en-3-amine?
The canonical SMILES for (Z)-N-butan-2-yl-5-butan-2-ylimino-N-dideuterioalumanylhept-3-en-3-amine is [2H][Al]([2H])N(/C(=C\C(CC)=N\C(C)CC)CC)C(C)CC.
What is the InChIKey of (Z)-N-butan-2-yl-5-butan-2-ylimino-N-dideuterioalumanylhept-3-en-3-amine?
The InChIKey is PMKNUJIKJNDEQV-MUUQVYOPSA-N. The full InChI is InChI=1S/C15H29N2.Al.2H/c1-7-12(5)16-14(9-3)11-15(10-4)17-13(6)8-2;;;/h11-13H,7-10H2,1-6H3;;;/q-1;+1;;/b14-11-,17-15+;;;/i;;2*1+1.
What are the key properties of (Z)-N-butan-2-yl-5-butan-2-ylimino-N-dideuterioalumanylhept-3-en-3-amine?
(Z)-N-butan-2-yl-5-butan-2-ylimino-N-dideuterioalumanylhept-3-en-3-amine has a molecular weight of 268.42 g/mol, XLogP of 3.58, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butan-2-yl-5-butan-2-ylimino-N-dideuterioalumanylhept-3-en-3-amine is sourced from PubChem (CID 154587304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).