(Z)-N-[chloro(deuterio)alumanyl]-N-ethyl-4-ethyliminopent-2-en-2-amine

C9H18AlClN2 — CID 154587327

IUPAC(Z)-N-[chloro(deuterio)alumanyl]-N-ethyl-4-ethyliminopent-2-en-2-amine
SMILES[2H][Al](Cl)N(CC)/C(C)=C\C(C)=N\CC
InChIInChI=1S/C9H17N2.Al.ClH.H/c1-5-10-8(3)7-9(4)11-6-2;;;/h7H,5-6H2,1-4H3;;1H;/q-1;+2;;/p-1/b8-7-,11-9+;;;/i;;;1+1
InChIKeyDKNHETLGNBRHGH-BRMMLEDSSA-M
MW217.70 g/mol
LogP2.20
Rot. Bonds5

About (Z)-N-[chloro(deuterio)alumanyl]-N-ethyl-4-ethyliminopent-2-en-2-amine

(Z)-N-[chloro(deuterio)alumanyl]-N-ethyl-4-ethyliminopent-2-en-2-amine (PubChem CID 154587327) has the molecular formula C9H18AlClN2 and a molecular weight of 217.70 g/mol. Its IUPAC name is (Z)-N-[chloro(deuterio)alumanyl]-N-ethyl-4-ethyliminopent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-[chloro(deuterio)alumanyl]-N-ethyl-4-ethyliminopent-2-en-2-amine
PubChem CID154587327
Molecular FormulaC9H18AlClN2
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Name(Z)-N-[chloro(deuterio)alumanyl]-N-ethyl-4-ethyliminopent-2-en-2-amine
SMILES[2H][Al](Cl)N(CC)/C(C)=C\C(C)=N\CC
InChIInChI=1S/C9H17N2.Al.ClH.H/c1-5-10-8(3)7-9(4)11-6-2;;;/h7H,5-6H2,1-4H3;;1H;/q-1;+2;;/p-1/b8-7-,11-9+;;;/i;;;1+1
InChIKeyDKNHETLGNBRHGH-BRMMLEDSSA-M
XLogP2.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium
CID 123564650
propyl-[(Z)-4-propyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)
CID 140501280
(Z)-N-diethylalumanyl-N-methyl-4-methyliminopent-2-en-2-amine
CID 148283379
(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-dichloroalumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 154587303
(Z)-N-butan-2-yl-5-butan-2-ylimino-N-dideuterioalumanylhept-3-en-3-amine
CID 154587304
(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
(Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 154587311
(Z)-N-butan-2-yl-5-butan-2-ylimino-N-dichloroalumanylhept-3-en-3-amine
CID 154587312

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[chloro(deuterio)alumanyl]-N-ethyl-4-ethyliminopent-2-en-2-amine?
The IUPAC name of (Z)-N-[chloro(deuterio)alumanyl]-N-ethyl-4-ethyliminopent-2-en-2-amine (CID 154587327) is (Z)-N-[chloro(deuterio)alumanyl]-N-ethyl-4-ethyliminopent-2-en-2-amine.
What is the SMILES notation for (Z)-N-[chloro(deuterio)alumanyl]-N-ethyl-4-ethyliminopent-2-en-2-amine?
The canonical SMILES for (Z)-N-[chloro(deuterio)alumanyl]-N-ethyl-4-ethyliminopent-2-en-2-amine is [2H][Al](Cl)N(CC)/C(C)=C\C(C)=N\CC.
What is the InChIKey of (Z)-N-[chloro(deuterio)alumanyl]-N-ethyl-4-ethyliminopent-2-en-2-amine?
The InChIKey is DKNHETLGNBRHGH-BRMMLEDSSA-M. The full InChI is InChI=1S/C9H17N2.Al.ClH.H/c1-5-10-8(3)7-9(4)11-6-2;;;/h7H,5-6H2,1-4H3;;1H;/q-1;+2;;/p-1/b8-7-,11-9+;;;/i;;;1+1.
What are the key properties of (Z)-N-[chloro(deuterio)alumanyl]-N-ethyl-4-ethyliminopent-2-en-2-amine?
(Z)-N-[chloro(deuterio)alumanyl]-N-ethyl-4-ethyliminopent-2-en-2-amine has a molecular weight of 217.70 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[chloro(deuterio)alumanyl]-N-ethyl-4-ethyliminopent-2-en-2-amine is sourced from PubChem (CID 154587327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).