2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine

C14H26N4O — CID 124695769

IUPAC2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
SMILESC[C@H]1CN(C(C)(C)CNCc2ncc[nH]2)C[C@H](C)O1
InChIInChI=1S/C14H26N4O/c1-11-8-18(9-12(2)19-11)14(3,4)10-15-7-13-16-5-6-17-13/h5-6,11-12,15H,7-10H2,1-4H3,(H,16,17)/t11-,12-/m0/s1
InChIKeyBUVFLGPYMAINPY-RYUDHWBXSA-N
MW266.39 g/mol
LogP1.39
Rot. Bonds5

About 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine

2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine (PubChem CID 124695769) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
PubChem CID124695769
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
SMILESC[C@H]1CN(C(C)(C)CNCc2ncc[nH]2)C[C@H](C)O1
InChIInChI=1S/C14H26N4O/c1-11-8-18(9-12(2)19-11)14(3,4)10-15-7-13-16-5-6-17-13/h5-6,11-12,15H,7-10H2,1-4H3,(H,16,17)/t11-,12-/m0/s1
InChIKeyBUVFLGPYMAINPY-RYUDHWBXSA-N
XLogP1.39
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine?
The IUPAC name of 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine (CID 124695769) is 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine is C[C@H]1CN(C(C)(C)CNCc2ncc[nH]2)C[C@H](C)O1.
What is the InChIKey of 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine?
The InChIKey is BUVFLGPYMAINPY-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H26N4O/c1-11-8-18(9-12(2)19-11)14(3,4)10-15-7-13-16-5-6-17-13/h5-6,11-12,15H,7-10H2,1-4H3,(H,16,17)/t11-,12-/m0/s1.
What are the key properties of 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine?
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine has a molecular weight of 266.39 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 124695769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).