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

C16H32AlClN2 — CID 154587348

IUPAC(Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
SMILESCC/C(=C/C(CC)=N/C(C)C)N(C(C)C)[Al](Cl)C(C)C
InChIInChI=1S/C13H25N2.C3H7.Al.ClH/c1-7-12(14-10(3)4)9-13(8-2)15-11(5)6;1-3-2;;/h9-11H,7-8H2,1-6H3;3H,1-2H3;;1H/q-1;;+2;/p-1/b12-9-,15-13+;;;
InChIKeyICXGTVDSSJQQAS-YDGXPJKGSA-M
MW314.88 g/mol
LogP5.39
Rot. Bonds8

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

(Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine (PubChem CID 154587348) has the molecular formula C16H32AlClN2 and a molecular weight of 314.88 g/mol. Its IUPAC name is (Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine.

Molecular Properties

Compound Name(Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
PubChem CID154587348
Molecular FormulaC16H32AlClN2
Molecular Weight314.88 g/mol
Exact Mass314.21
IUPAC Name(Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
SMILESCC/C(=C/C(CC)=N/C(C)C)N(C(C)C)[Al](Cl)C(C)C
InChIInChI=1S/C13H25N2.C3H7.Al.ClH/c1-7-12(14-10(3)4)9-13(8-2)15-11(5)6;1-3-2;;/h9-11H,7-8H2,1-6H3;3H,1-2H3;;1H/q-1;;+2;/p-1/b12-9-,15-13+;;;
InChIKeyICXGTVDSSJQQAS-YDGXPJKGSA-M
XLogP5.39
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.88
LogP ≤ 55.39
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-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-[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-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-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine?
The IUPAC name of (Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine (CID 154587348) is (Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine.
What is the SMILES notation for (Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine?
The canonical SMILES for (Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine is CC/C(=C/C(CC)=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-5-propan-2-yliminohept-3-en-3-amine?
The InChIKey is ICXGTVDSSJQQAS-YDGXPJKGSA-M. The full InChI is InChI=1S/C13H25N2.C3H7.Al.ClH/c1-7-12(14-10(3)4)9-13(8-2)15-11(5)6;1-3-2;;/h9-11H,7-8H2,1-6H3;3H,1-2H3;;1H/q-1;;+2;/p-1/b12-9-,15-13+;;;.
What are the key properties of (Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine?
(Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine has a molecular weight of 314.88 g/mol, XLogP of 5.39, 8 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-5-propan-2-yliminohept-3-en-3-amine is sourced from PubChem (CID 154587348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).