(2S)-4-(1H-imidazol-5-ylmethyl)-2-(4-methylpentyl)morpholine

C14H25N3O — CID 31016417

IUPAC(2S)-4-(1H-imidazol-5-ylmethyl)-2-(4-methylpentyl)morpholine
SMILESCC(C)CCC[C@H]1CN(Cc2cnc[nH]2)CCO1
InChIInChI=1S/C14H25N3O/c1-12(2)4-3-5-14-10-17(6-7-18-14)9-13-8-15-11-16-13/h8,11-12,14H,3-7,9-10H2,1-2H3,(H,15,16)/t14-/m0/s1
InChIKeyXSDMZQRCMYKYLI-AWEZNQCLSA-N
MW251.37 g/mol
LogP2.44
Rot. Bonds6

About (2S)-4-(1H-imidazol-5-ylmethyl)-2-(4-methylpentyl)morpholine

(2S)-4-(1H-imidazol-5-ylmethyl)-2-(4-methylpentyl)morpholine (PubChem CID 31016417) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (2S)-4-(1H-imidazol-5-ylmethyl)-2-(4-methylpentyl)morpholine.

Molecular Properties

Compound Name(2S)-4-(1H-imidazol-5-ylmethyl)-2-(4-methylpentyl)morpholine
PubChem CID31016417
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(2S)-4-(1H-imidazol-5-ylmethyl)-2-(4-methylpentyl)morpholine
SMILESCC(C)CCC[C@H]1CN(Cc2cnc[nH]2)CCO1
InChIInChI=1S/C14H25N3O/c1-12(2)4-3-5-14-10-17(6-7-18-14)9-13-8-15-11-16-13/h8,11-12,14H,3-7,9-10H2,1-2H3,(H,15,16)/t14-/m0/s1
InChIKeyXSDMZQRCMYKYLI-AWEZNQCLSA-N
XLogP2.44
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(1H-imidazol-5-ylmethyl)-2-(4-methylpentyl)morpholine?
The IUPAC name of (2S)-4-(1H-imidazol-5-ylmethyl)-2-(4-methylpentyl)morpholine (CID 31016417) is (2S)-4-(1H-imidazol-5-ylmethyl)-2-(4-methylpentyl)morpholine.
What is the SMILES notation for (2S)-4-(1H-imidazol-5-ylmethyl)-2-(4-methylpentyl)morpholine?
The canonical SMILES for (2S)-4-(1H-imidazol-5-ylmethyl)-2-(4-methylpentyl)morpholine is CC(C)CCC[C@H]1CN(Cc2cnc[nH]2)CCO1.
What is the InChIKey of (2S)-4-(1H-imidazol-5-ylmethyl)-2-(4-methylpentyl)morpholine?
The InChIKey is XSDMZQRCMYKYLI-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H25N3O/c1-12(2)4-3-5-14-10-17(6-7-18-14)9-13-8-15-11-16-13/h8,11-12,14H,3-7,9-10H2,1-2H3,(H,15,16)/t14-/m0/s1.
What are the key properties of (2S)-4-(1H-imidazol-5-ylmethyl)-2-(4-methylpentyl)morpholine?
(2S)-4-(1H-imidazol-5-ylmethyl)-2-(4-methylpentyl)morpholine has a molecular weight of 251.37 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(1H-imidazol-5-ylmethyl)-2-(4-methylpentyl)morpholine is sourced from PubChem (CID 31016417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).