1-dimethylalumanyloxy-N,N-dimethylpropan-1-amine

C7H18AlNO — CID 139905114

IUPAC1-dimethylalumanyloxy-N,N-dimethylpropan-1-amine
SMILESCCC(O[Al](C)C)N(C)C
InChIInChI=1S/C5H12NO.2CH3.Al/c1-4-5(7)6(2)3;;;/h5H,4H2,1-3H3;2*1H3;/q-1;;;+1
InChIKeyHNAAGZYSABMGPA-UHFFFAOYSA-N
MW159.21 g/mol
LogP1.55
Rot. Bonds4

About 1-dimethylalumanyloxy-N,N-dimethylpropan-1-amine

1-dimethylalumanyloxy-N,N-dimethylpropan-1-amine (PubChem CID 139905114) has the molecular formula C7H18AlNO and a molecular weight of 159.21 g/mol. Its IUPAC name is 1-dimethylalumanyloxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-dimethylalumanyloxy-N,N-dimethylpropan-1-amine
PubChem CID139905114
Molecular FormulaC7H18AlNO
Molecular Weight159.21 g/mol
Exact Mass159.12
IUPAC Name1-dimethylalumanyloxy-N,N-dimethylpropan-1-amine
SMILESCCC(O[Al](C)C)N(C)C
InChIInChI=1S/C5H12NO.2CH3.Al/c1-4-5(7)6(2)3;;;/h5H,4H2,1-3H3;2*1H3;/q-1;;;+1
InChIKeyHNAAGZYSABMGPA-UHFFFAOYSA-N
XLogP1.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-dimethylalumanyloxy-N,N-dimethylpropan-1-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

1-dimethylalumanyloxy-N,N-dipropylpropan-1-amine
CID 139905355
1-(2-aminopropan-2-yloxy)-N,N-dimethylpropan-1-amine
CID 174784058
N,N-dimethyl-1-tetradecoxypropan-1-amine
CID 175405088
1,2-diethoxy-N,N-dimethylethanamine
CID 88650398
N,N-dimethyl-1-pyridin-3-yloxypropan-1-amine
CID 173058068
1-(dimethylamino)propyl prop-2-enoate;hydrofluoride
CID 173036316
1-(cyclododecylideneamino)oxy-N,N-dimethylpropan-1-amine
CID 20572574
N,N-dimethyl-1-trimethoxysilylpropan-1-amine;silane
CID 173312185
N'-ethyl-1-methoxy-N,N,N'-trimethylethane-1,2-diamine
CID 178173118
(1R)-1-N',1-N'-dimethylpropane-1,1-diamine
CID 92569177
1-methoxy-N,N,2-trimethylbutan-1-amine
CID 91572935
1-dihexylalumanyloxy-N,N-diethylpropan-1-amine
CID 139905384

Frequently Asked Questions

What is the IUPAC name of 1-dimethylalumanyloxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 1-dimethylalumanyloxy-N,N-dimethylpropan-1-amine (CID 139905114) is 1-dimethylalumanyloxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 1-dimethylalumanyloxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 1-dimethylalumanyloxy-N,N-dimethylpropan-1-amine is CCC(O[Al](C)C)N(C)C.
What is the InChIKey of 1-dimethylalumanyloxy-N,N-dimethylpropan-1-amine?
The InChIKey is HNAAGZYSABMGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO.2CH3.Al/c1-4-5(7)6(2)3;;;/h5H,4H2,1-3H3;2*1H3;/q-1;;;+1.
What are the key properties of 1-dimethylalumanyloxy-N,N-dimethylpropan-1-amine?
1-dimethylalumanyloxy-N,N-dimethylpropan-1-amine has a molecular weight of 159.21 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethylalumanyloxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 139905114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).