(2R,3S)-N,2-dimethyloxan-3-amine

C7H15NO — CID 129044536

IUPAC(2R,3S)-N,2-dimethyloxan-3-amine
SMILESCN[C@H]1CCCO[C@@H]1C
InChIInChI=1S/C7H15NO/c1-6-7(8-2)4-3-5-9-6/h6-8H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyPRLOUQLFNCVFPK-RQJHMYQMSA-N
MW129.20 g/mol
LogP0.77
Rot. Bonds1

About (2R,3S)-N,2-dimethyloxan-3-amine

(2R,3S)-N,2-dimethyloxan-3-amine (PubChem CID 129044536) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (2R,3S)-N,2-dimethyloxan-3-amine.

Molecular Properties

Compound Name(2R,3S)-N,2-dimethyloxan-3-amine
PubChem CID129044536
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(2R,3S)-N,2-dimethyloxan-3-amine
SMILESCN[C@H]1CCCO[C@@H]1C
InChIInChI=1S/C7H15NO/c1-6-7(8-2)4-3-5-9-6/h6-8H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyPRLOUQLFNCVFPK-RQJHMYQMSA-N
XLogP0.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R,3S)-2-methyloxan-3-yl]formamide
CID 129044544
(2S,3R)-2,3-dimethyloxane
CID 121479351
(2R,3R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]oxolan-3-amine
CID 97358136
(2R,3R)-2-methyl-N-(2-methylcyclopentyl)oxolan-3-amine
CID 131175979
(2R,3R)-2-methyl-N-[(1S,2R)-2-methylcyclohexyl]oxolan-3-amine
CID 97358044
trans-(1R,2R)-1-N,2-N-dimethylcyclopentane-1,2-diamine
CID 129406607
(2S,3S)-N-methyl-2-phenyloxan-3-amine
CID 95562331
(2S,3R)-3-ethenyl-2-methyloxane
CID 139439800
(2R,3S)-3-ethenyl-2-methyloxane
CID 134995886
(3R)-2,3,4-trimethyloxepane
CID 144648748
1-N,2-N-dimethylcyclooctane-1,2-diamine
CID 85255471
1-N,2-N-dimethylcycloheptane-1,2-diamine
CID 20652987

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N,2-dimethyloxan-3-amine?
The IUPAC name of (2R,3S)-N,2-dimethyloxan-3-amine (CID 129044536) is (2R,3S)-N,2-dimethyloxan-3-amine.
What is the SMILES notation for (2R,3S)-N,2-dimethyloxan-3-amine?
The canonical SMILES for (2R,3S)-N,2-dimethyloxan-3-amine is CN[C@H]1CCCO[C@@H]1C.
What is the InChIKey of (2R,3S)-N,2-dimethyloxan-3-amine?
The InChIKey is PRLOUQLFNCVFPK-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H15NO/c1-6-7(8-2)4-3-5-9-6/h6-8H,3-5H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of (2R,3S)-N,2-dimethyloxan-3-amine?
(2R,3S)-N,2-dimethyloxan-3-amine has a molecular weight of 129.20 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,2-dimethyloxan-3-amine is sourced from PubChem (CID 129044536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).