(Z)-N-dichloroalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine

C11H21AlCl2N2 — CID 154587308

IUPAC(Z)-N-dichloroalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
SMILESC/C(=C/C(C)=N/C(C)C)N(C(C)C)[Al](Cl)Cl
InChIInChI=1S/C11H21N2.Al.2ClH/c1-8(2)12-10(5)7-11(6)13-9(3)4;;;/h7-9H,1-6H3;;2*1H/q-1;+3;;/p-2/b10-7-,13-11+;;;
InChIKeySRPXVDGTZUUFBQ-SZCUYHODSA-L
MW279.19 g/mol
LogP3.93
Rot. Bonds5

About (Z)-N-dichloroalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine

(Z)-N-dichloroalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine (PubChem CID 154587308) has the molecular formula C11H21AlCl2N2 and a molecular weight of 279.19 g/mol. Its IUPAC name is (Z)-N-dichloroalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-dichloroalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
PubChem CID154587308
Molecular FormulaC11H21AlCl2N2
Molecular Weight279.19 g/mol
Exact Mass278.09
IUPAC Name(Z)-N-dichloroalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
SMILESC/C(=C/C(C)=N/C(C)C)N(C(C)C)[Al](Cl)Cl
InChIInChI=1S/C11H21N2.Al.2ClH/c1-8(2)12-10(5)7-11(6)13-9(3)4;;;/h7-9H,1-6H3;;2*1H/q-1;+3;;/p-2/b10-7-,13-11+;;;
InChIKeySRPXVDGTZUUFBQ-SZCUYHODSA-L
XLogP3.93
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.19
LogP ≤ 53.93
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-dichloroalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine?
The IUPAC name of (Z)-N-dichloroalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine (CID 154587308) is (Z)-N-dichloroalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine.
What is the SMILES notation for (Z)-N-dichloroalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine?
The canonical SMILES for (Z)-N-dichloroalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine is C/C(=C/C(C)=N/C(C)C)N(C(C)C)[Al](Cl)Cl.
What is the InChIKey of (Z)-N-dichloroalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine?
The InChIKey is SRPXVDGTZUUFBQ-SZCUYHODSA-L. The full InChI is InChI=1S/C11H21N2.Al.2ClH/c1-8(2)12-10(5)7-11(6)13-9(3)4;;;/h7-9H,1-6H3;;2*1H/q-1;+3;;/p-2/b10-7-,13-11+;;;.
What are the key properties of (Z)-N-dichloroalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine?
(Z)-N-dichloroalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine has a molecular weight of 279.19 g/mol, XLogP of 3.93, 5 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-4-propan-2-yliminopent-2-en-2-amine is sourced from PubChem (CID 154587308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).