(3R)-2,2,5,5-tetramethyl-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]oxolan-3-amine

C18H28N2O3 — CID 97108645

IUPAC(3R)-2,2,5,5-tetramethyl-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]oxolan-3-amine
SMILESCC1(C)C[C@@H](NCc2ccnc(O[C@H]3CCOC3)c2)C(C)(C)O1
InChIInChI=1S/C18H28N2O3/c1-17(2)10-15(18(3,4)23-17)20-11-13-5-7-19-16(9-13)22-14-6-8-21-12-14/h5,7,9,14-15,20H,6,8,10-12H2,1-4H3/t14-,15+/m0/s1
InChIKeyRTJLLBSTHLNLKD-LSDHHAIUSA-N
MW320.43 g/mol
LogP2.68
Rot. Bonds5

About (3R)-2,2,5,5-tetramethyl-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]oxolan-3-amine

(3R)-2,2,5,5-tetramethyl-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]oxolan-3-amine (PubChem CID 97108645) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is (3R)-2,2,5,5-tetramethyl-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name(3R)-2,2,5,5-tetramethyl-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]oxolan-3-amine
PubChem CID97108645
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name(3R)-2,2,5,5-tetramethyl-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]oxolan-3-amine
SMILESCC1(C)C[C@@H](NCc2ccnc(O[C@H]3CCOC3)c2)C(C)(C)O1
InChIInChI=1S/C18H28N2O3/c1-17(2)10-15(18(3,4)23-17)20-11-13-5-7-19-16(9-13)22-14-6-8-21-12-14/h5,7,9,14-15,20H,6,8,10-12H2,1-4H3/t14-,15+/m0/s1
InChIKeyRTJLLBSTHLNLKD-LSDHHAIUSA-N
XLogP2.68
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-2,2,5,5-tetramethyl-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]oxolan-3-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]cyclopropanamine
CID 63558300
2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]propan-1-amine
CID 55212360
N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-1-propan-2-ylpiperidin-4-amine
CID 86786908
4-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]pyridin-2-amine
CID 136535179
(1S,5S,6R)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 129378989
3-(2-methylphenyl)-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]cyclobutan-1-amine
CID 99621949
6-bromo-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]quinolin-4-amine
CID 133415596
1-cyclopent-3-en-1-yl-3-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]urea
CID 97330579
3,5-difluoro-4-[[2-(oxolan-3-yloxy)-4-pyridinyl]methylamino]benzonitrile
CID 133415731
2-methyl-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133462232
4-bromo-2-nitro-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]aniline
CID 133415640
N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2,5,5-tetramethyl-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]oxolan-3-amine?
The IUPAC name of (3R)-2,2,5,5-tetramethyl-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]oxolan-3-amine (CID 97108645) is (3R)-2,2,5,5-tetramethyl-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]oxolan-3-amine.
What is the SMILES notation for (3R)-2,2,5,5-tetramethyl-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]oxolan-3-amine?
The canonical SMILES for (3R)-2,2,5,5-tetramethyl-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]oxolan-3-amine is CC1(C)C[C@@H](NCc2ccnc(O[C@H]3CCOC3)c2)C(C)(C)O1.
What is the InChIKey of (3R)-2,2,5,5-tetramethyl-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]oxolan-3-amine?
The InChIKey is RTJLLBSTHLNLKD-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-17(2)10-15(18(3,4)23-17)20-11-13-5-7-19-16(9-13)22-14-6-8-21-12-14/h5,7,9,14-15,20H,6,8,10-12H2,1-4H3/t14-,15+/m0/s1.
What are the key properties of (3R)-2,2,5,5-tetramethyl-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]oxolan-3-amine?
(3R)-2,2,5,5-tetramethyl-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]oxolan-3-amine has a molecular weight of 320.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2,5,5-tetramethyl-N-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]oxolan-3-amine is sourced from PubChem (CID 97108645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).