(1R,5R,6R)-N-[[(2R)-4-cyclopropylmorpholin-2-yl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine

C18H30N2O2 — CID 124856490

IUPAC(1R,5R,6R)-N-[[(2R)-4-cyclopropylmorpholin-2-yl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
SMILESC1CCC2(C1)[C@H](NC[C@@H]1CN(C3CC3)CCO1)[C@H]1CCO[C@H]12
InChIInChI=1S/C18H30N2O2/c1-2-7-18(6-1)16(15-5-9-22-17(15)18)19-11-14-12-20(8-10-21-14)13-3-4-13/h13-17,19H,1-12H2/t14-,15-,16-,17-/m1/s1
InChIKeyLKYBYRFUYIIZBN-QBPKDAKJSA-N
MW306.45 g/mol
LogP1.79
Rot. Bonds4

About (1R,5R,6R)-N-[[(2R)-4-cyclopropylmorpholin-2-yl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine

(1R,5R,6R)-N-[[(2R)-4-cyclopropylmorpholin-2-yl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine (PubChem CID 124856490) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is (1R,5R,6R)-N-[[(2R)-4-cyclopropylmorpholin-2-yl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine.

Molecular Properties

Compound Name(1R,5R,6R)-N-[[(2R)-4-cyclopropylmorpholin-2-yl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
PubChem CID124856490
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name(1R,5R,6R)-N-[[(2R)-4-cyclopropylmorpholin-2-yl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
SMILESC1CCC2(C1)[C@H](NC[C@@H]1CN(C3CC3)CCO1)[C@H]1CCO[C@H]12
InChIInChI=1S/C18H30N2O2/c1-2-7-18(6-1)16(15-5-9-22-17(15)18)19-11-14-12-20(8-10-21-14)13-3-4-13/h13-17,19H,1-12H2/t14-,15-,16-,17-/m1/s1
InChIKeyLKYBYRFUYIIZBN-QBPKDAKJSA-N
XLogP1.79
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,5R,6R)-N-[[(2R)-4-cyclopropylmorpholin-2-yl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine with MolForge

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Related Compounds

(1R,5R,6S)-N-[[(3R)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 99840678
(1R,5R,6S)-N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 99840680
N-(2-methylpropyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 115776651
N-but-2-ynylspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 115906623
N-propylspiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 115776639
1-cyclopropyl-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]methanamine
CID 95979352
1-(1-cyclopentylpyrrolidin-3-yl)-2-ethyl-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine;hydroiodide
CID 109405640
(1S,5S)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 154807276
N-(2-methylcyclopropyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 115776729
1-(1-cyclopropylpiperidin-4-yl)-2-ethyl-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine
CID 109393904
N'-ethyl-3-morpholin-4-yl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylpyrrolidine-1-carboximidamide
CID 109405259
N,N-dimethyl-1-[2-[[(1R,5R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]ethyl]piperidin-4-amine
CID 119036206

Frequently Asked Questions

What is the IUPAC name of (1R,5R,6R)-N-[[(2R)-4-cyclopropylmorpholin-2-yl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The IUPAC name of (1R,5R,6R)-N-[[(2R)-4-cyclopropylmorpholin-2-yl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine (CID 124856490) is (1R,5R,6R)-N-[[(2R)-4-cyclopropylmorpholin-2-yl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine.
What is the SMILES notation for (1R,5R,6R)-N-[[(2R)-4-cyclopropylmorpholin-2-yl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The canonical SMILES for (1R,5R,6R)-N-[[(2R)-4-cyclopropylmorpholin-2-yl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine is C1CCC2(C1)[C@H](NC[C@@H]1CN(C3CC3)CCO1)[C@H]1CCO[C@H]12.
What is the InChIKey of (1R,5R,6R)-N-[[(2R)-4-cyclopropylmorpholin-2-yl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The InChIKey is LKYBYRFUYIIZBN-QBPKDAKJSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-2-7-18(6-1)16(15-5-9-22-17(15)18)19-11-14-12-20(8-10-21-14)13-3-4-13/h13-17,19H,1-12H2/t14-,15-,16-,17-/m1/s1.
What are the key properties of (1R,5R,6R)-N-[[(2R)-4-cyclopropylmorpholin-2-yl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
(1R,5R,6R)-N-[[(2R)-4-cyclopropylmorpholin-2-yl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine has a molecular weight of 306.45 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6R)-N-[[(2R)-4-cyclopropylmorpholin-2-yl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine is sourced from PubChem (CID 124856490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).