(3R)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine

C11H19NO2 — CID 131176619

IUPAC(3R)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine
SMILESC1=C(CN[C@@H]2CCCOC2)COCC1
InChIInChI=1S/C11H19NO2/c1-3-10(8-13-5-1)7-12-11-4-2-6-14-9-11/h3,11-12H,1-2,4-9H2/t11-/m1/s1
InChIKeyIVUPDKXJROZUEU-LLVKDONJSA-N
MW197.28 g/mol
LogP1.10
Rot. Bonds3

About (3R)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine

(3R)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine (PubChem CID 131176619) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (3R)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine.

Molecular Properties

Compound Name(3R)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine
PubChem CID131176619
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(3R)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine
SMILESC1=C(CN[C@@H]2CCCOC2)COCC1
InChIInChI=1S/C11H19NO2/c1-3-10(8-13-5-1)7-12-11-4-2-6-14-9-11/h3,11-12H,1-2,4-9H2/t11-/m1/s1
InChIKeyIVUPDKXJROZUEU-LLVKDONJSA-N
XLogP1.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(pyrimidin-5-ylmethyl)oxan-3-amine
CID 130660711
(3S)-N-(1,3-thiazol-5-ylmethyl)oxan-3-amine
CID 130891979
N-[(2,4,5-trimethylphenyl)methyl]oxan-3-amine
CID 55189666
N-[(2-bromo-5-chlorophenyl)methyl]oxan-3-amine
CID 66161345
2-chloro-4-[(oxan-3-ylamino)methyl]phenol
CID 63363487
(3S)-N-[(5-chlorothiophen-2-yl)methyl]oxan-3-amine
CID 126999806
N-(1H-imidazol-2-ylmethyl)oxan-3-amine
CID 63359807
N-(1H-pyrrol-3-ylmethyl)oxan-3-amine
CID 66409421
1-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115742173
N-[(2-bromophenyl)methyl]oxan-3-amine
CID 63360139
N-[(5-methylfuran-2-yl)methyl]oxan-3-amine
CID 63360041
N-[(4-butoxyphenyl)methyl]oxan-3-amine
CID 63360097

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine?
The IUPAC name of (3R)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine (CID 131176619) is (3R)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine.
What is the SMILES notation for (3R)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine?
The canonical SMILES for (3R)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine is C1=C(CN[C@@H]2CCCOC2)COCC1.
What is the InChIKey of (3R)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine?
The InChIKey is IVUPDKXJROZUEU-LLVKDONJSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-10(8-13-5-1)7-12-11-4-2-6-14-9-11/h3,11-12H,1-2,4-9H2/t11-/m1/s1.
What are the key properties of (3R)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine?
(3R)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine has a molecular weight of 197.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine is sourced from PubChem (CID 131176619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).