(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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Related Compounds

4-(1H-imidazol-5-ylcarbonyl)-2-(4-methylpentyl)morpholine
CID 45169973
4-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]-2-(4-methylpentyl)morpholine
CID 45240895
1-(cyclopropylmethyl)-9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396293
1-[1-(1H-imidazol-4-ylmethyl)-4-piperidinyl]-3-methyl-1-butanol
CID 70723789
N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 98323777
5-[[[(1S,2S)-2-methoxycyclohexyl]amino]methyl]-N,N,1-trimethylimidazol-2-amine
CID 137998792
(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-methoxypiperidine
CID 164637986
4-(1H-imidazol-2-ylmethyl)-2-(4-methylpentyl)morpholine
CID 45220940
2-(cyclohexylmethyl)-4-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}morpholine
CID 56875828
N-methyl-N-[(2-methyl-1H-imidazol-4-yl)methyl]-4-morpholin-4-ylbutan-1-amine
CID 77083860
9-(1H-imidazol-5-ylmethyl)-1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396280
4-(1H-imidazol-5-ylmethyl)morpholine
CID 53768610

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).