N-benzyl-N-dimethylalumanylpropan-2-amine

C12H20AlN — CID 16696202

IUPACN-benzyl-N-dimethylalumanylpropan-2-amine
SMILESCC(C)N(Cc1ccccc1)[Al](C)C
InChIInChI=1S/C10H14N.2CH3.Al/c1-9(2)11-8-10-6-4-3-5-7-10;;;/h3-7,9H,8H2,1-2H3;2*1H3;/q-1;;;+1
InChIKeyKOUUBEQUWYVUEM-UHFFFAOYSA-N
MW205.28 g/mol
LogP3.15
Rot. Bonds4

About N-benzyl-N-dimethylalumanylpropan-2-amine

N-benzyl-N-dimethylalumanylpropan-2-amine (PubChem CID 16696202) has the molecular formula C12H20AlN and a molecular weight of 205.28 g/mol. Its IUPAC name is N-benzyl-N-dimethylalumanylpropan-2-amine.

Molecular Properties

Compound NameN-benzyl-N-dimethylalumanylpropan-2-amine
PubChem CID16696202
Molecular FormulaC12H20AlN
Molecular Weight205.28 g/mol
Exact Mass205.14
IUPAC NameN-benzyl-N-dimethylalumanylpropan-2-amine
SMILESCC(C)N(Cc1ccccc1)[Al](C)C
InChIInChI=1S/C10H14N.2CH3.Al/c1-9(2)11-8-10-6-4-3-5-7-10;;;/h3-7,9H,8H2,1-2H3;2*1H3;/q-1;;;+1
InChIKeyKOUUBEQUWYVUEM-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-benzyl-N-dimethylalumanylpropan-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

Related Compounds

N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
N,N-dimethyl-1-phenylmethanamine;phosphane
CID 174524909
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride
CID 71592559
N-benzyl-N-ethenylpropan-2-amine
CID 67948019
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-benzyl-N-(2-bromoethyl)propan-2-amine
CID 61289329
N-benzyl-N-methylbutan-2-amine
CID 15496809
1-[benzyl(1-hydroxyethyl)amino]ethanol;hydrochloride
CID 173430538
N-benzyl-N-propan-2-ylbenzenesulfonamide
CID 2813484

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-dimethylalumanylpropan-2-amine?
The IUPAC name of N-benzyl-N-dimethylalumanylpropan-2-amine (CID 16696202) is N-benzyl-N-dimethylalumanylpropan-2-amine.
What is the SMILES notation for N-benzyl-N-dimethylalumanylpropan-2-amine?
The canonical SMILES for N-benzyl-N-dimethylalumanylpropan-2-amine is CC(C)N(Cc1ccccc1)[Al](C)C.
What is the InChIKey of N-benzyl-N-dimethylalumanylpropan-2-amine?
The InChIKey is KOUUBEQUWYVUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N.2CH3.Al/c1-9(2)11-8-10-6-4-3-5-7-10;;;/h3-7,9H,8H2,1-2H3;2*1H3;/q-1;;;+1.
What are the key properties of N-benzyl-N-dimethylalumanylpropan-2-amine?
N-benzyl-N-dimethylalumanylpropan-2-amine has a molecular weight of 205.28 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-dimethylalumanylpropan-2-amine is sourced from PubChem (CID 16696202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).