(1S)-1-(1-ethylimidazol-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(oxan-4-yl)methanamine

C18H26N4O2 — CID 129482196

IUPAC(1S)-1-(1-ethylimidazol-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(oxan-4-yl)methanamine
SMILESCCn1ccnc1[C@@H](NCc1cccc(OC)n1)C1CCOCC1
InChIInChI=1S/C18H26N4O2/c1-3-22-10-9-19-18(22)17(14-7-11-24-12-8-14)20-13-15-5-4-6-16(21-15)23-2/h4-6,9-10,14,17,20H,3,7-8,11-13H2,1-2H3/t17-/m0/s1
InChIKeyCRYZJOBAPQTFNN-KRWDZBQOSA-N
MW330.43 g/mol
LogP2.56
Rot. Bonds7

About (1S)-1-(1-ethylimidazol-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(oxan-4-yl)methanamine

(1S)-1-(1-ethylimidazol-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(oxan-4-yl)methanamine (PubChem CID 129482196) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (1S)-1-(1-ethylimidazol-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(1S)-1-(1-ethylimidazol-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(oxan-4-yl)methanamine
PubChem CID129482196
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(1S)-1-(1-ethylimidazol-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(oxan-4-yl)methanamine
SMILESCCn1ccnc1[C@@H](NCc1cccc(OC)n1)C1CCOCC1
InChIInChI=1S/C18H26N4O2/c1-3-22-10-9-19-18(22)17(14-7-11-24-12-8-14)20-13-15-5-4-6-16(21-15)23-2/h4-6,9-10,14,17,20H,3,7-8,11-13H2,1-2H3/t17-/m0/s1
InChIKeyCRYZJOBAPQTFNN-KRWDZBQOSA-N
XLogP2.56
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-ethylimidazol-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(oxan-4-yl)methanamine?
The IUPAC name of (1S)-1-(1-ethylimidazol-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(oxan-4-yl)methanamine (CID 129482196) is (1S)-1-(1-ethylimidazol-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(oxan-4-yl)methanamine.
What is the SMILES notation for (1S)-1-(1-ethylimidazol-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(oxan-4-yl)methanamine?
The canonical SMILES for (1S)-1-(1-ethylimidazol-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(oxan-4-yl)methanamine is CCn1ccnc1[C@@H](NCc1cccc(OC)n1)C1CCOCC1.
What is the InChIKey of (1S)-1-(1-ethylimidazol-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(oxan-4-yl)methanamine?
The InChIKey is CRYZJOBAPQTFNN-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-3-22-10-9-19-18(22)17(14-7-11-24-12-8-14)20-13-15-5-4-6-16(21-15)23-2/h4-6,9-10,14,17,20H,3,7-8,11-13H2,1-2H3/t17-/m0/s1.
What are the key properties of (1S)-1-(1-ethylimidazol-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(oxan-4-yl)methanamine?
(1S)-1-(1-ethylimidazol-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(oxan-4-yl)methanamine has a molecular weight of 330.43 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-ethylimidazol-2-yl)-N-[(6-methoxy-2-pyridinyl)methyl]-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 129482196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).