(2R,6R)-N-(1,3-benzodioxol-5-ylmethyl)-2,6-di(propan-2-yl)oxan-4-amine

C19H29NO3 — CID 125433840

IUPAC(2R,6R)-N-(1,3-benzodioxol-5-ylmethyl)-2,6-di(propan-2-yl)oxan-4-amine
SMILESCC(C)[C@H]1CC(NCc2ccc3c(c2)OCO3)C[C@H](C(C)C)O1
InChIInChI=1S/C19H29NO3/c1-12(2)17-8-15(9-18(23-17)13(3)4)20-10-14-5-6-16-19(7-14)22-11-21-16/h5-7,12-13,15,17-18,20H,8-11H2,1-4H3/t17-,18-/m1/s1
InChIKeyQFCSLHUPMINKGK-QZTJIDSGSA-N
MW319.45 g/mol
LogP3.73
Rot. Bonds5

About (2R,6R)-N-(1,3-benzodioxol-5-ylmethyl)-2,6-di(propan-2-yl)oxan-4-amine

(2R,6R)-N-(1,3-benzodioxol-5-ylmethyl)-2,6-di(propan-2-yl)oxan-4-amine (PubChem CID 125433840) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is (2R,6R)-N-(1,3-benzodioxol-5-ylmethyl)-2,6-di(propan-2-yl)oxan-4-amine.

Molecular Properties

Compound Name(2R,6R)-N-(1,3-benzodioxol-5-ylmethyl)-2,6-di(propan-2-yl)oxan-4-amine
PubChem CID125433840
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name(2R,6R)-N-(1,3-benzodioxol-5-ylmethyl)-2,6-di(propan-2-yl)oxan-4-amine
SMILESCC(C)[C@H]1CC(NCc2ccc3c(c2)OCO3)C[C@H](C(C)C)O1
InChIInChI=1S/C19H29NO3/c1-12(2)17-8-15(9-18(23-17)13(3)4)20-10-14-5-6-16-19(7-14)22-11-21-16/h5-7,12-13,15,17-18,20H,8-11H2,1-4H3/t17-,18-/m1/s1
InChIKeyQFCSLHUPMINKGK-QZTJIDSGSA-N
XLogP3.73
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrrolidin-3-amine
CID 81300420
N-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115688251
N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylethanamine
CID 43767433
N-(1,3-benzodioxol-5-ylmethyl)-1,1-dioxothiolan-3-amine
CID 43087894
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R,6R)-4-(4-fluorophenyl)-2,6-di(propan-2-yl)oxan-4-yl]ethanamine
CID 125433404
1,2-bis(1,3-benzodioxol-5-ylmethyl)hydrazine;hydrochloride
CID 54605734
N-(1,3-benzodioxol-5-ylmethyl)-2-methylcyclohexan-1-amine
CID 2852722
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylcyclopentan-1-amine
CID 64501654
1,3-benzodioxol-5-ylmethyl(dimethyl)-λ3-iodane
CID 163882429
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methylcyclohexan-1-amine
CID 28615139
2-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)propan-1-amine
CID 67559257
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexanamine;ethane
CID 142837750

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-N-(1,3-benzodioxol-5-ylmethyl)-2,6-di(propan-2-yl)oxan-4-amine?
The IUPAC name of (2R,6R)-N-(1,3-benzodioxol-5-ylmethyl)-2,6-di(propan-2-yl)oxan-4-amine (CID 125433840) is (2R,6R)-N-(1,3-benzodioxol-5-ylmethyl)-2,6-di(propan-2-yl)oxan-4-amine.
What is the SMILES notation for (2R,6R)-N-(1,3-benzodioxol-5-ylmethyl)-2,6-di(propan-2-yl)oxan-4-amine?
The canonical SMILES for (2R,6R)-N-(1,3-benzodioxol-5-ylmethyl)-2,6-di(propan-2-yl)oxan-4-amine is CC(C)[C@H]1CC(NCc2ccc3c(c2)OCO3)C[C@H](C(C)C)O1.
What is the InChIKey of (2R,6R)-N-(1,3-benzodioxol-5-ylmethyl)-2,6-di(propan-2-yl)oxan-4-amine?
The InChIKey is QFCSLHUPMINKGK-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H29NO3/c1-12(2)17-8-15(9-18(23-17)13(3)4)20-10-14-5-6-16-19(7-14)22-11-21-16/h5-7,12-13,15,17-18,20H,8-11H2,1-4H3/t17-,18-/m1/s1.
What are the key properties of (2R,6R)-N-(1,3-benzodioxol-5-ylmethyl)-2,6-di(propan-2-yl)oxan-4-amine?
(2R,6R)-N-(1,3-benzodioxol-5-ylmethyl)-2,6-di(propan-2-yl)oxan-4-amine has a molecular weight of 319.45 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-N-(1,3-benzodioxol-5-ylmethyl)-2,6-di(propan-2-yl)oxan-4-amine is sourced from PubChem (CID 125433840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).