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

C19H39AlN2 — CID 154587314

IUPAC(Z)-N-di(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](C(C)C)C(C)C
InChIInChI=1S/C13H25N2.2C3H7.Al/c1-7-12(14-10(3)4)9-13(8-2)15-11(5)6;2*1-3-2;/h9-11H,7-8H2,1-6H3;2*3H,1-2H3;/q-1;;;+1/b12-9-,15-13+;;;
InChIKeyBBRZYEIBRFWKBX-YDGXPJKGSA-N
MW322.52 g/mol
LogP6.06
Rot. Bonds9

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

(Z)-N-di(propan-2-yl)alumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine (PubChem CID 154587314) has the molecular formula C19H39AlN2 and a molecular weight of 322.52 g/mol. Its IUPAC name is (Z)-N-di(propan-2-yl)alumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine.

Molecular Properties

Compound Name(Z)-N-di(propan-2-yl)alumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
PubChem CID154587314
Molecular FormulaC19H39AlN2
Molecular Weight322.52 g/mol
Exact Mass322.29
IUPAC Name(Z)-N-di(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](C(C)C)C(C)C
InChIInChI=1S/C13H25N2.2C3H7.Al/c1-7-12(14-10(3)4)9-13(8-2)15-11(5)6;2*1-3-2;/h9-11H,7-8H2,1-6H3;2*3H,1-2H3;/q-1;;;+1/b12-9-,15-13+;;;
InChIKeyBBRZYEIBRFWKBX-YDGXPJKGSA-N
XLogP6.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.52
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-di(propan-2-yl)alumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine with MolForge

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Launch Full Analysis

Related Compounds

manganese(2+);bis(propan-2-yl-[(Z)-4-propan-2-yliminopent-2-en-2-yl]azanide)
CID 162407548
(Z)-N-diethylalumanyl-N-methyl-5-methyliminohept-3-en-3-amine
CID 147679532
(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-[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-di(propan-2-yl)alumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine?
The IUPAC name of (Z)-N-di(propan-2-yl)alumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine (CID 154587314) is (Z)-N-di(propan-2-yl)alumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine.
What is the SMILES notation for (Z)-N-di(propan-2-yl)alumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine?
The canonical SMILES for (Z)-N-di(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](C(C)C)C(C)C.
What is the InChIKey of (Z)-N-di(propan-2-yl)alumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine?
The InChIKey is BBRZYEIBRFWKBX-YDGXPJKGSA-N. The full InChI is InChI=1S/C13H25N2.2C3H7.Al/c1-7-12(14-10(3)4)9-13(8-2)15-11(5)6;2*1-3-2;/h9-11H,7-8H2,1-6H3;2*3H,1-2H3;/q-1;;;+1/b12-9-,15-13+;;;.
What are the key properties of (Z)-N-di(propan-2-yl)alumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine?
(Z)-N-di(propan-2-yl)alumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine has a molecular weight of 322.52 g/mol, XLogP of 6.06, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-di(propan-2-yl)alumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine is sourced from PubChem (CID 154587314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).