2-alumanyl-4-fluoro-5-propyloxan-3-amine

C8H17AlFNO — CID 163485497

IUPAC2-alumanyl-4-fluoro-5-propyloxan-3-amine
SMILESCCCC1COC([AlH2])C(N)C1F
InChIInChI=1S/C8H15FNO.Al.2H/c1-2-3-6-4-11-5-7(10)8(6)9;;;/h5-8H,2-4,10H2,1H3;;;
InChIKeyCIEMAQJWLGRSPX-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.06
Rot. Bonds2

About 2-alumanyl-4-fluoro-5-propyloxan-3-amine

2-alumanyl-4-fluoro-5-propyloxan-3-amine (PubChem CID 163485497) has the molecular formula C8H17AlFNO and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-alumanyl-4-fluoro-5-propyloxan-3-amine.

Molecular Properties

Compound Name2-alumanyl-4-fluoro-5-propyloxan-3-amine
PubChem CID163485497
Molecular FormulaC8H17AlFNO
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name2-alumanyl-4-fluoro-5-propyloxan-3-amine
SMILESCCCC1COC([AlH2])C(N)C1F
InChIInChI=1S/C8H15FNO.Al.2H/c1-2-3-6-4-11-5-7(10)8(6)9;;;/h5-8H,2-4,10H2,1H3;;;
InChIKeyCIEMAQJWLGRSPX-UHFFFAOYSA-N
XLogP0.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S,5S)-2-alumanyl-4-fluoro-5-methyloxan-3-amine
CID 163524804
(3S,3aR,6R,6aR)-3,6-dipropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 59336408
(6aR)-3,6-dipropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 137382626
ethane;methane;3-methyl-4-propyloxolane
CID 144611295
(3aR,6aR)-3-methyl-6-propyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 131969290
(2R,3S)-2-alumanyl-5-methyloxan-3-amine
CID 148890995
(1S,2S,3R,5S)-3-propylbicyclo[3.1.0]hexan-2-amine
CID 55284909
[(1S,2S)-2-propylcyclopentyl]methanamine
CID 124512847
4-fluoro-5-propylazepane
CID 84650925
N-(2-propylcyclopropyl)methanimine
CID 147257968
(2-propyloxolan-3-yl)methanamine
CID 79368036
ethane;(1R,6S)-6-propylcyclohex-3-en-1-amine
CID 145304897

Frequently Asked Questions

What is the IUPAC name of 2-alumanyl-4-fluoro-5-propyloxan-3-amine?
The IUPAC name of 2-alumanyl-4-fluoro-5-propyloxan-3-amine (CID 163485497) is 2-alumanyl-4-fluoro-5-propyloxan-3-amine.
What is the SMILES notation for 2-alumanyl-4-fluoro-5-propyloxan-3-amine?
The canonical SMILES for 2-alumanyl-4-fluoro-5-propyloxan-3-amine is CCCC1COC([AlH2])C(N)C1F.
What is the InChIKey of 2-alumanyl-4-fluoro-5-propyloxan-3-amine?
The InChIKey is CIEMAQJWLGRSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FNO.Al.2H/c1-2-3-6-4-11-5-7(10)8(6)9;;;/h5-8H,2-4,10H2,1H3;;;.
What are the key properties of 2-alumanyl-4-fluoro-5-propyloxan-3-amine?
2-alumanyl-4-fluoro-5-propyloxan-3-amine has a molecular weight of 189.21 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-alumanyl-4-fluoro-5-propyloxan-3-amine is sourced from PubChem (CID 163485497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).