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

C14H24N2O2 — CID 177367991

IUPAC(3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine;molecular hydrogen
SMILESCOc1ccc(CN[C@H]2CCOC2)nc1C(C)C.[H][H]
InChIInChI=1S/C14H22N2O2.H2/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;1H/t12-;/m0./s1
InChIKeyHGPMLAZXYYWUHM-YDALLXLXSA-N
MW252.36 g/mol
LogP2.34
Rot. Bonds5

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

(3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine;molecular hydrogen (PubChem CID 177367991) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine;molecular hydrogen.

Molecular Properties

Compound Name(3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine;molecular hydrogen
PubChem CID177367991
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine;molecular hydrogen
SMILESCOc1ccc(CN[C@H]2CCOC2)nc1C(C)C.[H][H]
InChIInChI=1S/C14H22N2O2.H2/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;1H/t12-;/m0./s1
InChIKeyHGPMLAZXYYWUHM-YDALLXLXSA-N
XLogP2.34
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine
CID 177367992
N-[(8-methoxyquinolin-2-yl)methyl]oxan-4-amine
CID 80702551
N-[(4-methoxyphenyl)methyl]oxolan-3-amine
CID 63332037
N,N-dimethyl-6-[(oxolan-3-ylamino)methyl]pyridin-2-amine
CID 115765993
N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine
CID 63360173
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]oxolan-3-amine
CID 80716888
N-[(4-methoxyphenyl)methyl]oxan-3-amine
CID 63360174
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
CID 63335816
N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine
CID 63360472
(3R)-N-[(2,3-dimethoxyphenyl)methyl]oxan-3-amine
CID 95986911
N-(pyridin-4-ylmethyl)oxolan-3-amine
CID 63331890
N-[(3-ethoxy-2-methoxyphenyl)methyl]oxolan-3-amine
CID 80713225

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine;molecular hydrogen?
The IUPAC name of (3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine;molecular hydrogen (CID 177367991) is (3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine;molecular hydrogen.
What is the SMILES notation for (3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine;molecular hydrogen?
The canonical SMILES for (3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine;molecular hydrogen is COc1ccc(CN[C@H]2CCOC2)nc1C(C)C.[H][H].
What is the InChIKey of (3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine;molecular hydrogen?
The InChIKey is HGPMLAZXYYWUHM-YDALLXLXSA-N. The full InChI is InChI=1S/C14H22N2O2.H2/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;1H/t12-;/m0./s1.
What are the key properties of (3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine;molecular hydrogen?
(3S)-N-[(5-methoxy-6-propan-2-yl-2-pyridinyl)methyl]oxolan-3-amine;molecular hydrogen has a molecular weight of 252.36 g/mol, XLogP of 2.34, 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;molecular hydrogen is sourced from PubChem (CID 177367991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).