(2R)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine

C16H29N3O — CID 42530237

IUPAC(2R)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine
SMILESCc1ncc(CN2CCO[C@H](CCCC(C)C)C2)n1C
InChIInChI=1S/C16H29N3O/c1-13(2)6-5-7-16-12-19(8-9-20-16)11-15-10-17-14(3)18(15)4/h10,13,16H,5-9,11-12H2,1-4H3/t16-/m1/s1
InChIKeyYSXSFRYHCNVXSM-MRXNPFEDSA-N
MW279.43 g/mol
LogP2.76
Rot. Bonds6

About (2R)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine

(2R)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine (PubChem CID 42530237) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is (2R)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine.

Molecular Properties

Compound Name(2R)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine
PubChem CID42530237
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name(2R)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine
SMILESCc1ncc(CN2CCO[C@H](CCCC(C)C)C2)n1C
InChIInChI=1S/C16H29N3O/c1-13(2)6-5-7-16-12-19(8-9-20-16)11-15-10-17-14(3)18(15)4/h10,13,16H,5-9,11-12H2,1-4H3/t16-/m1/s1
InChIKeyYSXSFRYHCNVXSM-MRXNPFEDSA-N
XLogP2.76
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine?
The IUPAC name of (2R)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine (CID 42530237) is (2R)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine.
What is the SMILES notation for (2R)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine?
The canonical SMILES for (2R)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine is Cc1ncc(CN2CCO[C@H](CCCC(C)C)C2)n1C.
What is the InChIKey of (2R)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine?
The InChIKey is YSXSFRYHCNVXSM-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H29N3O/c1-13(2)6-5-7-16-12-19(8-9-20-16)11-15-10-17-14(3)18(15)4/h10,13,16H,5-9,11-12H2,1-4H3/t16-/m1/s1.
What are the key properties of (2R)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine?
(2R)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine has a molecular weight of 279.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine is sourced from PubChem (CID 42530237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).