N-bis[methyl(propan-2-yl)amino]alumanyl-N-methylpropan-2-amine

C12H30AlN3 — CID 140655991

IUPACN-bis[methyl(propan-2-yl)amino]alumanyl-N-methylpropan-2-amine
SMILESCC(C)N(C)[Al](N(C)C(C)C)N(C)C(C)C
InChIInChI=1S/3C4H10N.Al/c3*1-4(2)5-3;/h3*4H,1-3H3;/q3*-1;+3
InChIKeyDITISPCJXGXRDG-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.99
Rot. Bonds6

About N-bis[methyl(propan-2-yl)amino]alumanyl-N-methylpropan-2-amine

N-bis[methyl(propan-2-yl)amino]alumanyl-N-methylpropan-2-amine (PubChem CID 140655991) has the molecular formula C12H30AlN3 and a molecular weight of 243.37 g/mol. Its IUPAC name is N-bis[methyl(propan-2-yl)amino]alumanyl-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-bis[methyl(propan-2-yl)amino]alumanyl-N-methylpropan-2-amine
PubChem CID140655991
Molecular FormulaC12H30AlN3
Molecular Weight243.37 g/mol
Exact Mass243.23
IUPAC NameN-bis[methyl(propan-2-yl)amino]alumanyl-N-methylpropan-2-amine
SMILESCC(C)N(C)[Al](N(C)C(C)C)N(C)C(C)C
InChIInChI=1S/3C4H10N.Al/c3*1-4(2)5-3;/h3*4H,1-3H3;/q3*-1;+3
InChIKeyDITISPCJXGXRDG-UHFFFAOYSA-N
XLogP1.99
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-bis[methyl(propan-2-yl)amino]alumanyl-N-methylpropan-2-amine?
The IUPAC name of N-bis[methyl(propan-2-yl)amino]alumanyl-N-methylpropan-2-amine (CID 140655991) is N-bis[methyl(propan-2-yl)amino]alumanyl-N-methylpropan-2-amine.
What is the SMILES notation for N-bis[methyl(propan-2-yl)amino]alumanyl-N-methylpropan-2-amine?
The canonical SMILES for N-bis[methyl(propan-2-yl)amino]alumanyl-N-methylpropan-2-amine is CC(C)N(C)[Al](N(C)C(C)C)N(C)C(C)C.
What is the InChIKey of N-bis[methyl(propan-2-yl)amino]alumanyl-N-methylpropan-2-amine?
The InChIKey is DITISPCJXGXRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H10N.Al/c3*1-4(2)5-3;/h3*4H,1-3H3;/q3*-1;+3.
What are the key properties of N-bis[methyl(propan-2-yl)amino]alumanyl-N-methylpropan-2-amine?
N-bis[methyl(propan-2-yl)amino]alumanyl-N-methylpropan-2-amine has a molecular weight of 243.37 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis[methyl(propan-2-yl)amino]alumanyl-N-methylpropan-2-amine is sourced from PubChem (CID 140655991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).