(Z)-N-butan-2-yl-5-butan-2-ylimino-N-dichloroalumanylhept-3-en-3-amine

C15H29AlCl2N2 — CID 154587312

IUPAC(Z)-N-butan-2-yl-5-butan-2-ylimino-N-dichloroalumanylhept-3-en-3-amine
SMILESCC/C(=C/C(CC)=N/C(C)CC)N(C(C)CC)[Al](Cl)Cl
InChIInChI=1S/C15H29N2.Al.2ClH/c1-7-12(5)16-14(9-3)11-15(10-4)17-13(6)8-2;;;/h11-13H,7-10H2,1-6H3;;2*1H/q-1;+3;;/p-2/b14-11-,17-15+;;;
InChIKeyCHGZXQVTLCUMPG-WWRCBRJGSA-L
MW335.30 g/mol
LogP5.49
Rot. Bonds9

About (Z)-N-butan-2-yl-5-butan-2-ylimino-N-dichloroalumanylhept-3-en-3-amine

(Z)-N-butan-2-yl-5-butan-2-ylimino-N-dichloroalumanylhept-3-en-3-amine (PubChem CID 154587312) has the molecular formula C15H29AlCl2N2 and a molecular weight of 335.30 g/mol. Its IUPAC name is (Z)-N-butan-2-yl-5-butan-2-ylimino-N-dichloroalumanylhept-3-en-3-amine.

Molecular Properties

Compound Name(Z)-N-butan-2-yl-5-butan-2-ylimino-N-dichloroalumanylhept-3-en-3-amine
PubChem CID154587312
Molecular FormulaC15H29AlCl2N2
Molecular Weight335.30 g/mol
Exact Mass334.15
IUPAC Name(Z)-N-butan-2-yl-5-butan-2-ylimino-N-dichloroalumanylhept-3-en-3-amine
SMILESCC/C(=C/C(CC)=N/C(C)CC)N(C(C)CC)[Al](Cl)Cl
InChIInChI=1S/C15H29N2.Al.2ClH/c1-7-12(5)16-14(9-3)11-15(10-4)17-13(6)8-2;;;/h11-13H,7-10H2,1-6H3;;2*1H/q-1;+3;;/p-2/b14-11-,17-15+;;;
InChIKeyCHGZXQVTLCUMPG-WWRCBRJGSA-L
XLogP5.49
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.30
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-butan-2-yl-5-butan-2-ylimino-N-dichloroalumanylhept-3-en-3-amine with MolForge

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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-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-[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-butan-2-yl-5-butan-2-ylimino-N-dichloroalumanylhept-3-en-3-amine?
The IUPAC name of (Z)-N-butan-2-yl-5-butan-2-ylimino-N-dichloroalumanylhept-3-en-3-amine (CID 154587312) is (Z)-N-butan-2-yl-5-butan-2-ylimino-N-dichloroalumanylhept-3-en-3-amine.
What is the SMILES notation for (Z)-N-butan-2-yl-5-butan-2-ylimino-N-dichloroalumanylhept-3-en-3-amine?
The canonical SMILES for (Z)-N-butan-2-yl-5-butan-2-ylimino-N-dichloroalumanylhept-3-en-3-amine is CC/C(=C/C(CC)=N/C(C)CC)N(C(C)CC)[Al](Cl)Cl.
What is the InChIKey of (Z)-N-butan-2-yl-5-butan-2-ylimino-N-dichloroalumanylhept-3-en-3-amine?
The InChIKey is CHGZXQVTLCUMPG-WWRCBRJGSA-L. The full InChI is InChI=1S/C15H29N2.Al.2ClH/c1-7-12(5)16-14(9-3)11-15(10-4)17-13(6)8-2;;;/h11-13H,7-10H2,1-6H3;;2*1H/q-1;+3;;/p-2/b14-11-,17-15+;;;.
What are the key properties of (Z)-N-butan-2-yl-5-butan-2-ylimino-N-dichloroalumanylhept-3-en-3-amine?
(Z)-N-butan-2-yl-5-butan-2-ylimino-N-dichloroalumanylhept-3-en-3-amine has a molecular weight of 335.30 g/mol, XLogP of 5.49, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butan-2-yl-5-butan-2-ylimino-N-dichloroalumanylhept-3-en-3-amine is sourced from PubChem (CID 154587312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).