(Z)-N-di(propan-2-yl)alumanyl-N-methyl-4-methyliminopent-2-en-2-amine

C13H27AlN2 — CID 154587318

IUPAC(Z)-N-di(propan-2-yl)alumanyl-N-methyl-4-methyliminopent-2-en-2-amine
SMILESC/N=C(C)/C=C(/C)N(C)[Al](C(C)C)C(C)C
InChIInChI=1S/C7H13N2.2C3H7.Al/c1-6(8-3)5-7(2)9-4;2*1-3-2;/h5H,1-4H3;2*3H,1-2H3;/q-1;;;+1/b6-5-,9-7+;;;
InChIKeyXTUGUUJSLSYZQG-LAQJPSDGSA-N
MW238.35 g/mol
LogP3.72
Rot. Bonds5

About (Z)-N-di(propan-2-yl)alumanyl-N-methyl-4-methyliminopent-2-en-2-amine

(Z)-N-di(propan-2-yl)alumanyl-N-methyl-4-methyliminopent-2-en-2-amine (PubChem CID 154587318) has the molecular formula C13H27AlN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is (Z)-N-di(propan-2-yl)alumanyl-N-methyl-4-methyliminopent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-di(propan-2-yl)alumanyl-N-methyl-4-methyliminopent-2-en-2-amine
PubChem CID154587318
Molecular FormulaC13H27AlN2
Molecular Weight238.35 g/mol
Exact Mass238.20
IUPAC Name(Z)-N-di(propan-2-yl)alumanyl-N-methyl-4-methyliminopent-2-en-2-amine
SMILESC/N=C(C)/C=C(/C)N(C)[Al](C(C)C)C(C)C
InChIInChI=1S/C7H13N2.2C3H7.Al/c1-6(8-3)5-7(2)9-4;2*1-3-2;/h5H,1-4H3;2*3H,1-2H3;/q-1;;;+1/b6-5-,9-7+;;;
InChIKeyXTUGUUJSLSYZQG-LAQJPSDGSA-N
XLogP3.72
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.72
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-methyl-4-methyliminopent-2-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N-di(propan-2-yl)alumanyl-N-methyl-4-methyliminopent-2-en-2-amine?
The IUPAC name of (Z)-N-di(propan-2-yl)alumanyl-N-methyl-4-methyliminopent-2-en-2-amine (CID 154587318) is (Z)-N-di(propan-2-yl)alumanyl-N-methyl-4-methyliminopent-2-en-2-amine.
What is the SMILES notation for (Z)-N-di(propan-2-yl)alumanyl-N-methyl-4-methyliminopent-2-en-2-amine?
The canonical SMILES for (Z)-N-di(propan-2-yl)alumanyl-N-methyl-4-methyliminopent-2-en-2-amine is C/N=C(C)/C=C(/C)N(C)[Al](C(C)C)C(C)C.
What is the InChIKey of (Z)-N-di(propan-2-yl)alumanyl-N-methyl-4-methyliminopent-2-en-2-amine?
The InChIKey is XTUGUUJSLSYZQG-LAQJPSDGSA-N. The full InChI is InChI=1S/C7H13N2.2C3H7.Al/c1-6(8-3)5-7(2)9-4;2*1-3-2;/h5H,1-4H3;2*3H,1-2H3;/q-1;;;+1/b6-5-,9-7+;;;.
What are the key properties of (Z)-N-di(propan-2-yl)alumanyl-N-methyl-4-methyliminopent-2-en-2-amine?
(Z)-N-di(propan-2-yl)alumanyl-N-methyl-4-methyliminopent-2-en-2-amine has a molecular weight of 238.35 g/mol, XLogP of 3.72, 5 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-methyl-4-methyliminopent-2-en-2-amine is sourced from PubChem (CID 154587318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).