(Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine

C14H28AlClN2 — CID 154587311

IUPAC(Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
SMILESC/C(=C/C(C)=N/C(C)C)N(C(C)C)[Al](Cl)C(C)C
InChIInChI=1S/C11H21N2.C3H7.Al.ClH/c1-8(2)12-10(5)7-11(6)13-9(3)4;1-3-2;;/h7-9H,1-6H3;3H,1-2H3;;1H/q-1;;+2;/p-1/b10-7-,13-11+;;;
InChIKeyLSLUGJVPTJUTIQ-SZCUYHODSA-M
MW286.83 g/mol
LogP4.61
Rot. Bonds6

About (Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine

(Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine (PubChem CID 154587311) has the molecular formula C14H28AlClN2 and a molecular weight of 286.83 g/mol. Its IUPAC name is (Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
PubChem CID154587311
Molecular FormulaC14H28AlClN2
Molecular Weight286.83 g/mol
Exact Mass286.18
IUPAC Name(Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
SMILESC/C(=C/C(C)=N/C(C)C)N(C(C)C)[Al](Cl)C(C)C
InChIInChI=1S/C11H21N2.C3H7.Al.ClH/c1-8(2)12-10(5)7-11(6)13-9(3)4;1-3-2;;/h7-9H,1-6H3;3H,1-2H3;;1H/q-1;;+2;/p-1/b10-7-,13-11+;;;
InChIKeyLSLUGJVPTJUTIQ-SZCUYHODSA-M
XLogP4.61
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine with MolForge

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Launch Full Analysis

Related Compounds

Ethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium
CID 123564650
(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-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-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-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

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine?
The IUPAC name of (Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine (CID 154587311) is (Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine.
What is the SMILES notation for (Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine?
The canonical SMILES for (Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine is C/C(=C/C(C)=N/C(C)C)N(C(C)C)[Al](Cl)C(C)C.
What is the InChIKey of (Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine?
The InChIKey is LSLUGJVPTJUTIQ-SZCUYHODSA-M. The full InChI is InChI=1S/C11H21N2.C3H7.Al.ClH/c1-8(2)12-10(5)7-11(6)13-9(3)4;1-3-2;;/h7-9H,1-6H3;3H,1-2H3;;1H/q-1;;+2;/p-1/b10-7-,13-11+;;;.
What are the key properties of (Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine?
(Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine has a molecular weight of 286.83 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine is sourced from PubChem (CID 154587311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).