(2S,6S)-2,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]oxan-4-amine

C12H23NO2 — CID 97358325

IUPAC(2S,6S)-2,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]oxan-4-amine
SMILESC[C@H]1CC(NC[C@@H]2CCCO2)C[C@H](C)O1
InChIInChI=1S/C12H23NO2/c1-9-6-11(7-10(2)15-9)13-8-12-4-3-5-14-12/h9-13H,3-8H2,1-2H3/t9-,10-,12-/m0/s1
InChIKeyOMAFHTDEZDUQRR-NHCYSSNCSA-N
MW213.32 g/mol
LogP1.71
Rot. Bonds3

About (2S,6S)-2,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]oxan-4-amine

(2S,6S)-2,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]oxan-4-amine (PubChem CID 97358325) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]oxan-4-amine.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]oxan-4-amine
PubChem CID97358325
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(2S,6S)-2,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]oxan-4-amine
SMILESC[C@H]1CC(NC[C@@H]2CCCO2)C[C@H](C)O1
InChIInChI=1S/C12H23NO2/c1-9-6-11(7-10(2)15-9)13-8-12-4-3-5-14-12/h9-13H,3-8H2,1-2H3/t9-,10-,12-/m0/s1
InChIKeyOMAFHTDEZDUQRR-NHCYSSNCSA-N
XLogP1.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 64751038
1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine
CID 117027418
(2R,3R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]oxolan-3-amine
CID 97358136
3-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylic acid
CID 117027700
2,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 63995122
5-methyl-3-(oxolan-2-ylmethylamino)oxolan-2-one
CID 130669953
2,3-dimethyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 64908944
1-N-(oxolan-2-ylmethyl)cyclohexane-1,3-diamine
CID 79459503
N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 81330041
N-methyl-1-[(2R)-oxolan-2-yl]methanamine;molecular hydrogen
CID 142806903
1,2,5-trimethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine
CID 43665432
2-methyl-N-(oxan-2-ylmethyl)cyclopentan-1-amine
CID 63278391

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]oxan-4-amine?
The IUPAC name of (2S,6S)-2,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]oxan-4-amine (CID 97358325) is (2S,6S)-2,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]oxan-4-amine.
What is the SMILES notation for (2S,6S)-2,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]oxan-4-amine?
The canonical SMILES for (2S,6S)-2,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]oxan-4-amine is C[C@H]1CC(NC[C@@H]2CCCO2)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-2,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]oxan-4-amine?
The InChIKey is OMAFHTDEZDUQRR-NHCYSSNCSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-6-11(7-10(2)15-9)13-8-12-4-3-5-14-12/h9-13H,3-8H2,1-2H3/t9-,10-,12-/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]oxan-4-amine?
(2S,6S)-2,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]oxan-4-amine has a molecular weight of 213.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]oxan-4-amine is sourced from PubChem (CID 97358325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).