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

C17H35AlN2 — CID 154587357

IUPAC(Z)-N-di(propan-2-yl)alumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
SMILESCC/N=C(/C=C(/CC)N(CC)[Al](C(C)C)C(C)C)CC
InChIInChI=1S/C11H21N2.2C3H7.Al/c1-5-10(12-7-3)9-11(6-2)13-8-4;2*1-3-2;/h9H,5-8H2,1-4H3;2*3H,1-2H3;/q-1;;;+1/b10-9-,13-11+;;;
InChIKeyYBKSNCJFCJWMEB-PKMVWEJNSA-N
MW294.46 g/mol
LogP5.28
Rot. Bonds9

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

(Z)-N-di(propan-2-yl)alumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine (PubChem CID 154587357) has the molecular formula C17H35AlN2 and a molecular weight of 294.46 g/mol. Its IUPAC name is (Z)-N-di(propan-2-yl)alumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine.

Molecular Properties

Compound Name(Z)-N-di(propan-2-yl)alumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
PubChem CID154587357
Molecular FormulaC17H35AlN2
Molecular Weight294.46 g/mol
Exact Mass294.26
IUPAC Name(Z)-N-di(propan-2-yl)alumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
SMILESCC/N=C(/C=C(/CC)N(CC)[Al](C(C)C)C(C)C)CC
InChIInChI=1S/C11H21N2.2C3H7.Al/c1-5-10(12-7-3)9-11(6-2)13-8-4;2*1-3-2;/h9H,5-8H2,1-4H3;2*3H,1-2H3;/q-1;;;+1/b10-9-,13-11+;;;
InChIKeyYBKSNCJFCJWMEB-PKMVWEJNSA-N
XLogP5.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.46
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-di(propan-2-yl)alumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine?
The IUPAC name of (Z)-N-di(propan-2-yl)alumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine (CID 154587357) is (Z)-N-di(propan-2-yl)alumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine.
What is the SMILES notation for (Z)-N-di(propan-2-yl)alumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine?
The canonical SMILES for (Z)-N-di(propan-2-yl)alumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine is CC/N=C(/C=C(/CC)N(CC)[Al](C(C)C)C(C)C)CC.
What is the InChIKey of (Z)-N-di(propan-2-yl)alumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine?
The InChIKey is YBKSNCJFCJWMEB-PKMVWEJNSA-N. The full InChI is InChI=1S/C11H21N2.2C3H7.Al/c1-5-10(12-7-3)9-11(6-2)13-8-4;2*1-3-2;/h9H,5-8H2,1-4H3;2*3H,1-2H3;/q-1;;;+1/b10-9-,13-11+;;;.
What are the key properties of (Z)-N-di(propan-2-yl)alumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine?
(Z)-N-di(propan-2-yl)alumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine has a molecular weight of 294.46 g/mol, XLogP of 5.28, 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-ethyl-5-ethyliminohept-3-en-3-amine is sourced from PubChem (CID 154587357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).