(2R,4R)-N,N,2-trimethyloxan-4-amine

C8H17NO — CID 10441808

IUPAC(2R,4R)-N,N,2-trimethyloxan-4-amine
SMILESC[C@@H]1C[C@H](N(C)C)CCO1
InChIInChI=1S/C8H17NO/c1-7-6-8(9(2)3)4-5-10-7/h7-8H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyVFRYZEQOSAROIF-HTQZYQBOSA-N
MW143.23 g/mol
LogP1.12
Rot. Bonds1

About (2R,4R)-N,N,2-trimethyloxan-4-amine

(2R,4R)-N,N,2-trimethyloxan-4-amine (PubChem CID 10441808) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2R,4R)-N,N,2-trimethyloxan-4-amine.

Molecular Properties

Compound Name(2R,4R)-N,N,2-trimethyloxan-4-amine
PubChem CID10441808
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2R,4R)-N,N,2-trimethyloxan-4-amine
SMILESC[C@@H]1C[C@H](N(C)C)CCO1
InChIInChI=1S/C8H17NO/c1-7-6-8(9(2)3)4-5-10-7/h7-8H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyVFRYZEQOSAROIF-HTQZYQBOSA-N
XLogP1.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N,N,6-trimethyloxan-4-amine
CID 144042807
1-Butan-2-yl-4-(4-fluorocyclohexyl)oxypiperidine
CID 176982575
3-Cyclohexyloxypropylamine, N,N-dimethyl-
CID 547398
1-(2,6-Dimethyloxan-4-yl)-3-fluoroazetidine
CID 126989688
N-(2,2-difluoroethyl)-N,2-dimethyloxan-4-amine
CID 130666717
N-methyl-N-propyloxan-4-amine
CID 9898896
N-ethyl-N-propan-2-yloxan-4-amine
CID 21034314
N-methyl-N-propan-2-yloxan-4-amine
CID 21034323
Trimethyl-[1-(oxiran-2-yl)butan-2-yl]azanium
CID 21584966
N,N-di(propan-2-yl)oxan-4-amine
CID 22975544
N-methyl-N-[2-(oxan-2-yl)ethyl]propan-2-amine
CID 57979615
N,N,2,6-tetramethyloxan-4-amine
CID 58035363

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N,N,2-trimethyloxan-4-amine?
The IUPAC name of (2R,4R)-N,N,2-trimethyloxan-4-amine (CID 10441808) is (2R,4R)-N,N,2-trimethyloxan-4-amine.
What is the SMILES notation for (2R,4R)-N,N,2-trimethyloxan-4-amine?
The canonical SMILES for (2R,4R)-N,N,2-trimethyloxan-4-amine is C[C@@H]1C[C@H](N(C)C)CCO1.
What is the InChIKey of (2R,4R)-N,N,2-trimethyloxan-4-amine?
The InChIKey is VFRYZEQOSAROIF-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H17NO/c1-7-6-8(9(2)3)4-5-10-7/h7-8H,4-6H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of (2R,4R)-N,N,2-trimethyloxan-4-amine?
(2R,4R)-N,N,2-trimethyloxan-4-amine has a molecular weight of 143.23 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N,N,2-trimethyloxan-4-amine is sourced from PubChem (CID 10441808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).