(Z)-N-dichloroalumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine

C13H25AlCl2N2 — CID 154587303

IUPAC(Z)-N-dichloroalumanyl-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)Cl
InChIInChI=1S/C13H25N2.Al.2ClH/c1-7-12(14-10(3)4)9-13(8-2)15-11(5)6;;;/h9-11H,7-8H2,1-6H3;;2*1H/q-1;+3;;/p-2/b12-9-,15-13+;;;
InChIKeyMTJLXHXLTNMAGB-YDGXPJKGSA-L
MW307.25 g/mol
LogP4.71
Rot. Bonds7

About (Z)-N-dichloroalumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine

(Z)-N-dichloroalumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine (PubChem CID 154587303) has the molecular formula C13H25AlCl2N2 and a molecular weight of 307.25 g/mol. Its IUPAC name is (Z)-N-dichloroalumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine.

Molecular Properties

Compound Name(Z)-N-dichloroalumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
PubChem CID154587303
Molecular FormulaC13H25AlCl2N2
Molecular Weight307.25 g/mol
Exact Mass306.12
IUPAC Name(Z)-N-dichloroalumanyl-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)Cl
InChIInChI=1S/C13H25N2.Al.2ClH/c1-7-12(14-10(3)4)9-13(8-2)15-11(5)6;;;/h9-11H,7-8H2,1-6H3;;2*1H/q-1;+3;;/p-2/b12-9-,15-13+;;;
InChIKeyMTJLXHXLTNMAGB-YDGXPJKGSA-L
XLogP4.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 54.71
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

propyl-[(Z)-4-propyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)
CID 140501280
(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-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-dichloroalumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine?
The IUPAC name of (Z)-N-dichloroalumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine (CID 154587303) is (Z)-N-dichloroalumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine.
What is the SMILES notation for (Z)-N-dichloroalumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine?
The canonical SMILES for (Z)-N-dichloroalumanyl-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)Cl.
What is the InChIKey of (Z)-N-dichloroalumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine?
The InChIKey is MTJLXHXLTNMAGB-YDGXPJKGSA-L. The full InChI is InChI=1S/C13H25N2.Al.2ClH/c1-7-12(14-10(3)4)9-13(8-2)15-11(5)6;;;/h9-11H,7-8H2,1-6H3;;2*1H/q-1;+3;;/p-2/b12-9-,15-13+;;;.
What are the key properties of (Z)-N-dichloroalumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine?
(Z)-N-dichloroalumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine has a molecular weight of 307.25 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-dichloroalumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine is sourced from PubChem (CID 154587303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).