(Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-5-methyliminohept-3-en-3-amine

C12H24AlClN2 — CID 154587313

IUPAC(Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-5-methyliminohept-3-en-3-amine
SMILESCC/C(=C/C(CC)=N/C)N(C)[Al](Cl)C(C)C
InChIInChI=1S/C9H17N2.C3H7.Al.ClH/c1-5-8(10-3)7-9(6-2)11-4;1-3-2;;/h7H,5-6H2,1-4H3;3H,1-2H3;;1H/q-1;;+2;/p-1/b8-7-,11-9+;;;
InChIKeyCEIRGZVAOSRYDM-IDVPCYQJSA-M
MW258.77 g/mol
LogP3.83
Rot. Bonds6

About (Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-5-methyliminohept-3-en-3-amine

(Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-5-methyliminohept-3-en-3-amine (PubChem CID 154587313) has the molecular formula C12H24AlClN2 and a molecular weight of 258.77 g/mol. Its IUPAC name is (Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-5-methyliminohept-3-en-3-amine.

Molecular Properties

Compound Name(Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-5-methyliminohept-3-en-3-amine
PubChem CID154587313
Molecular FormulaC12H24AlClN2
Molecular Weight258.77 g/mol
Exact Mass258.14
IUPAC Name(Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-5-methyliminohept-3-en-3-amine
SMILESCC/C(=C/C(CC)=N/C)N(C)[Al](Cl)C(C)C
InChIInChI=1S/C9H17N2.C3H7.Al.ClH/c1-5-8(10-3)7-9(6-2)11-4;1-3-2;;/h7H,5-6H2,1-4H3;3H,1-2H3;;1H/q-1;;+2;/p-1/b8-7-,11-9+;;;
InChIKeyCEIRGZVAOSRYDM-IDVPCYQJSA-M
XLogP3.83
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 53.83
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

(Z)-N-diethylalumanyl-N-methyl-5-methyliminohept-3-en-3-amine
CID 147679532
(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-[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-di(propan-2-yl)alumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 154587314

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-5-methyliminohept-3-en-3-amine?
The IUPAC name of (Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-5-methyliminohept-3-en-3-amine (CID 154587313) is (Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-5-methyliminohept-3-en-3-amine.
What is the SMILES notation for (Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-5-methyliminohept-3-en-3-amine?
The canonical SMILES for (Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-5-methyliminohept-3-en-3-amine is CC/C(=C/C(CC)=N/C)N(C)[Al](Cl)C(C)C.
What is the InChIKey of (Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-5-methyliminohept-3-en-3-amine?
The InChIKey is CEIRGZVAOSRYDM-IDVPCYQJSA-M. The full InChI is InChI=1S/C9H17N2.C3H7.Al.ClH/c1-5-8(10-3)7-9(6-2)11-4;1-3-2;;/h7H,5-6H2,1-4H3;3H,1-2H3;;1H/q-1;;+2;/p-1/b8-7-,11-9+;;;.
What are the key properties of (Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-5-methyliminohept-3-en-3-amine?
(Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-5-methyliminohept-3-en-3-amine has a molecular weight of 258.77 g/mol, XLogP of 3.83, 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-methyl-5-methyliminohept-3-en-3-amine is sourced from PubChem (CID 154587313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).