N-[(dipropylamino)-iodoalumanyl]-N-propylpropan-1-amine

C12H28AlIN2 — CID 175787147

IUPACN-[(dipropylamino)-iodoalumanyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)[Al](I)N(CCC)CCC
InChIInChI=1S/2C6H14N.Al.HI/c2*1-3-5-7-6-4-2;;/h2*3-6H2,1-2H3;;1H/q2*-1;+3;/p-1
InChIKeyZZPRKPHRZFASPJ-UHFFFAOYSA-M
MW354.26 g/mol
LogP3.65
Rot. Bonds10

About N-[(dipropylamino)-iodoalumanyl]-N-propylpropan-1-amine

N-[(dipropylamino)-iodoalumanyl]-N-propylpropan-1-amine (PubChem CID 175787147) has the molecular formula C12H28AlIN2 and a molecular weight of 354.26 g/mol. Its IUPAC name is N-[(dipropylamino)-iodoalumanyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[(dipropylamino)-iodoalumanyl]-N-propylpropan-1-amine
PubChem CID175787147
Molecular FormulaC12H28AlIN2
Molecular Weight354.26 g/mol
Exact Mass354.11
IUPAC NameN-[(dipropylamino)-iodoalumanyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)[Al](I)N(CCC)CCC
InChIInChI=1S/2C6H14N.Al.HI/c2*1-3-5-7-6-4-2;;/h2*3-6H2,1-2H3;;1H/q2*-1;+3;/p-1
InChIKeyZZPRKPHRZFASPJ-UHFFFAOYSA-M
XLogP3.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(dipropylamino)-iodoalumanyl]-N-propylpropan-1-amine?
The IUPAC name of N-[(dipropylamino)-iodoalumanyl]-N-propylpropan-1-amine (CID 175787147) is N-[(dipropylamino)-iodoalumanyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[(dipropylamino)-iodoalumanyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[(dipropylamino)-iodoalumanyl]-N-propylpropan-1-amine is CCCN(CCC)[Al](I)N(CCC)CCC.
What is the InChIKey of N-[(dipropylamino)-iodoalumanyl]-N-propylpropan-1-amine?
The InChIKey is ZZPRKPHRZFASPJ-UHFFFAOYSA-M. The full InChI is InChI=1S/2C6H14N.Al.HI/c2*1-3-5-7-6-4-2;;/h2*3-6H2,1-2H3;;1H/q2*-1;+3;/p-1.
What are the key properties of N-[(dipropylamino)-iodoalumanyl]-N-propylpropan-1-amine?
N-[(dipropylamino)-iodoalumanyl]-N-propylpropan-1-amine has a molecular weight of 354.26 g/mol, XLogP of 3.65, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(dipropylamino)-iodoalumanyl]-N-propylpropan-1-amine is sourced from PubChem (CID 175787147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).