(3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine

C14H22N2O2 — CID 177367992

IUPAC(3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine
SMILESCOc1ccc(CN[C@H]2CCOC2)nc1C(C)C
InChIInChI=1S/C14H22N2O2/c1-10(2)14-13(17-3)5-4-11(16-14)8-15-12-6-7-18-9-12/h4-5,10,12,15H,6-9H2,1-3H3/t12-/m0/s1
InChIKeyMDKQVSHKHSLNBP-LBPRGKRZSA-N
MW250.34 g/mol
LogP2.09
Rot. Bonds5

About (3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine

(3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine (PubChem CID 177367992) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine
PubChem CID177367992
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine
SMILESCOc1ccc(CN[C@H]2CCOC2)nc1C(C)C
InChIInChI=1S/C14H22N2O2/c1-10(2)14-13(17-3)5-4-11(16-14)8-15-12-6-7-18-9-12/h4-5,10,12,15H,6-9H2,1-3H3/t12-/m0/s1
InChIKeyMDKQVSHKHSLNBP-LBPRGKRZSA-N
XLogP2.09
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine?
The IUPAC name of (3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine (CID 177367992) is (3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine.
What is the SMILES notation for (3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine?
The canonical SMILES for (3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine is COc1ccc(CN[C@H]2CCOC2)nc1C(C)C.
What is the InChIKey of (3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine?
The InChIKey is MDKQVSHKHSLNBP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)14-13(17-3)5-4-11(16-14)8-15-12-6-7-18-9-12/h4-5,10,12,15H,6-9H2,1-3H3/t12-/m0/s1.
What are the key properties of (3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine?
(3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine has a molecular weight of 250.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine is sourced from PubChem (CID 177367992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).