(Z)-N-dichloroalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine

C9H17AlCl2N2 — CID 154587330

IUPAC(Z)-N-dichloroalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine
SMILESCC/N=C(C)/C=C(/C)N(CC)[Al](Cl)Cl
InChIInChI=1S/C9H17N2.Al.2ClH/c1-5-10-8(3)7-9(4)11-6-2;;;/h7H,5-6H2,1-4H3;;2*1H/q-1;+3;;/p-2/b8-7-,11-9+;;;
InChIKeyYUNLBZMCIWMCKW-IDVPCYQJSA-L
MW251.14 g/mol
LogP3.16
Rot. Bonds5

About (Z)-N-dichloroalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine

(Z)-N-dichloroalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine (PubChem CID 154587330) has the molecular formula C9H17AlCl2N2 and a molecular weight of 251.14 g/mol. Its IUPAC name is (Z)-N-dichloroalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-dichloroalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine
PubChem CID154587330
Molecular FormulaC9H17AlCl2N2
Molecular Weight251.14 g/mol
Exact Mass250.06
IUPAC Name(Z)-N-dichloroalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine
SMILESCC/N=C(C)/C=C(/C)N(CC)[Al](Cl)Cl
InChIInChI=1S/C9H17N2.Al.2ClH/c1-5-10-8(3)7-9(4)11-6-2;;;/h7H,5-6H2,1-4H3;;2*1H/q-1;+3;;/p-2/b8-7-,11-9+;;;
InChIKeyYUNLBZMCIWMCKW-IDVPCYQJSA-L
XLogP3.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.14
LogP ≤ 53.16
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-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
(Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-5-methyliminohept-3-en-3-amine
CID 154587313
(Z)-N-di(propan-2-yl)alumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine
CID 154587317

Frequently Asked Questions

What is the IUPAC name of (Z)-N-dichloroalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine?
The IUPAC name of (Z)-N-dichloroalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine (CID 154587330) is (Z)-N-dichloroalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine.
What is the SMILES notation for (Z)-N-dichloroalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine?
The canonical SMILES for (Z)-N-dichloroalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine is CC/N=C(C)/C=C(/C)N(CC)[Al](Cl)Cl.
What is the InChIKey of (Z)-N-dichloroalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine?
The InChIKey is YUNLBZMCIWMCKW-IDVPCYQJSA-L. The full InChI is InChI=1S/C9H17N2.Al.2ClH/c1-5-10-8(3)7-9(4)11-6-2;;;/h7H,5-6H2,1-4H3;;2*1H/q-1;+3;;/p-2/b8-7-,11-9+;;;.
What are the key properties of (Z)-N-dichloroalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine?
(Z)-N-dichloroalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine has a molecular weight of 251.14 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-dichloroalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine is sourced from PubChem (CID 154587330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).