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

C16H29N3O — CID 42530239

IUPAC(2S)-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-/m0/s1
InChIKeyYSXSFRYHCNVXSM-INIZCTEOSA-N
MW279.43 g/mol
LogP2.76
Rot. Bonds6

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

(2S)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine (PubChem CID 42530239) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is (2S)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine
PubChem CID42530239
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name(2S)-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-/m0/s1
InChIKeyYSXSFRYHCNVXSM-INIZCTEOSA-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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Related Compounds

4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(3-phenylpropyl)morpholine
CID 45245084
(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpentyl)morpholine
CID 28872424
(2R)-2,4-bis(4-methylpentyl)morpholine
CID 149421762
1,5-dimethyl-4-[[(2R)-2-(4-methylpentyl)morpholin-4-yl]methyl]-2-phenylpyrazol-3-one
CID 28732080
(2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine
CID 161175783
(2R)-2-(4-methylpentyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]morpholine
CID 29001663
2-(bromomethyl)-4-(4-methylpentyl)morpholine
CID 83168587
[4-(4-methylpentyl)morpholin-2-yl]methanamine
CID 83157184
[(2S)-2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 25373845
1-[methyl-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]amino]propane-2-thiol
CID 170115847
2-methyl-1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]propan-1-one
CID 95225161
2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethanamine;dihydrochloride
CID 154908850

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine?
The IUPAC name of (2S)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine (CID 42530239) is (2S)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine.
What is the SMILES notation for (2S)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine?
The canonical SMILES for (2S)-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 (2S)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine?
The InChIKey is YSXSFRYHCNVXSM-INIZCTEOSA-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-/m0/s1.
What are the key properties of (2S)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine?
(2S)-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 (2S)-4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine is sourced from PubChem (CID 42530239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).