(2R,3S)-2-alumanyl-5-methyloxan-3-amine

C6H14AlNO — CID 148890995

IUPAC(2R,3S)-2-alumanyl-5-methyloxan-3-amine
SMILESCC1CO[C@H]([AlH2])[C@@H](N)C1
InChIInChI=1S/C6H12NO.Al.2H/c1-5-2-6(7)4-8-3-5;;;/h4-6H,2-3,7H2,1H3;;;/t5?,6-;;;/m0.../s1
InChIKeyPEXPXTIKHASWFI-SPWZSHALSA-N
MW143.17 g/mol
LogP-0.67
Rot. Bonds

About (2R,3S)-2-alumanyl-5-methyloxan-3-amine

(2R,3S)-2-alumanyl-5-methyloxan-3-amine (PubChem CID 148890995) has the molecular formula C6H14AlNO and a molecular weight of 143.17 g/mol. Its IUPAC name is (2R,3S)-2-alumanyl-5-methyloxan-3-amine.

Molecular Properties

Compound Name(2R,3S)-2-alumanyl-5-methyloxan-3-amine
PubChem CID148890995
Molecular FormulaC6H14AlNO
Molecular Weight143.17 g/mol
Exact Mass143.09
IUPAC Name(2R,3S)-2-alumanyl-5-methyloxan-3-amine
SMILESCC1CO[C@H]([AlH2])[C@@H](N)C1
InChIInChI=1S/C6H12NO.Al.2H/c1-5-2-6(7)4-8-3-5;;;/h4-6H,2-3,7H2,1H3;;;/t5?,6-;;;/m0.../s1
InChIKeyPEXPXTIKHASWFI-SPWZSHALSA-N
XLogP-0.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyloxan-3-amine
CID 20600657
(2R,3S,5R)-2,5-dimethyloxan-3-amine
CID 129045857
2-alumanyl-N,5-dimethyloxan-3-amine
CID 163592102
5-methyl-1,3-dioxan-2-amine
CID 154516283
(2R,3S,5S)-2-alumanyl-4-fluoro-5-methyloxan-3-amine
CID 163524804
[(2R,4S)-4-methyloxolan-2-yl]methanamine
CID 124578103
2-fluoro-4-methyloxolane
CID 57195800
4-methyloxolan-2-ol
CID 11007834
(2S)-2,3,5-trimethyloxane
CID 58758243
(3R,4R,6R)-4-amino-6-methyloxan-3-ol
CID 173049740
5-methyl-2-[2-methyl-5-(oxolan-2-yl)pentan-2-yl]cyclohexan-1-amine
CID 65165198
(1R,2S,4R)-2,4-dimethylcyclopentan-1-amine
CID 134253027

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-alumanyl-5-methyloxan-3-amine?
The IUPAC name of (2R,3S)-2-alumanyl-5-methyloxan-3-amine (CID 148890995) is (2R,3S)-2-alumanyl-5-methyloxan-3-amine.
What is the SMILES notation for (2R,3S)-2-alumanyl-5-methyloxan-3-amine?
The canonical SMILES for (2R,3S)-2-alumanyl-5-methyloxan-3-amine is CC1CO[C@H]([AlH2])[C@@H](N)C1.
What is the InChIKey of (2R,3S)-2-alumanyl-5-methyloxan-3-amine?
The InChIKey is PEXPXTIKHASWFI-SPWZSHALSA-N. The full InChI is InChI=1S/C6H12NO.Al.2H/c1-5-2-6(7)4-8-3-5;;;/h4-6H,2-3,7H2,1H3;;;/t5?,6-;;;/m0.../s1.
What are the key properties of (2R,3S)-2-alumanyl-5-methyloxan-3-amine?
(2R,3S)-2-alumanyl-5-methyloxan-3-amine has a molecular weight of 143.17 g/mol, XLogP of -0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-alumanyl-5-methyloxan-3-amine is sourced from PubChem (CID 148890995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).