N,N-dimethyl-1-[2-[(2S)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine

C13H21F3N4O — CID 125001765

IUPACN,N-dimethyl-1-[2-[(2S)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine
SMILESCN(C)Cc1cnc([C@@H]2CN(CCC(F)(F)F)CCO2)[nH]1
InChIInChI=1S/C13H21F3N4O/c1-19(2)8-10-7-17-12(18-10)11-9-20(5-6-21-11)4-3-13(14,15)16/h7,11H,3-6,8-9H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeySFRFULVWDVZTIA-NSHDSACASA-N
MW306.33 g/mol
LogP1.80
Rot. Bonds5

About N,N-dimethyl-1-[2-[(2S)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine

N,N-dimethyl-1-[2-[(2S)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine (PubChem CID 125001765) has the molecular formula C13H21F3N4O and a molecular weight of 306.33 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-[(2S)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-[(2S)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine
PubChem CID125001765
Molecular FormulaC13H21F3N4O
Molecular Weight306.33 g/mol
Exact Mass306.17
IUPAC NameN,N-dimethyl-1-[2-[(2S)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine
SMILESCN(C)Cc1cnc([C@@H]2CN(CCC(F)(F)F)CCO2)[nH]1
InChIInChI=1S/C13H21F3N4O/c1-19(2)8-10-7-17-12(18-10)11-9-20(5-6-21-11)4-3-13(14,15)16/h7,11H,3-6,8-9H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeySFRFULVWDVZTIA-NSHDSACASA-N
XLogP1.80
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-[(2S)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[2-[(2S)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine (CID 125001765) is N,N-dimethyl-1-[2-[(2S)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-[(2S)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[2-[(2S)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine is CN(C)Cc1cnc([C@@H]2CN(CCC(F)(F)F)CCO2)[nH]1.
What is the InChIKey of N,N-dimethyl-1-[2-[(2S)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine?
The InChIKey is SFRFULVWDVZTIA-NSHDSACASA-N. The full InChI is InChI=1S/C13H21F3N4O/c1-19(2)8-10-7-17-12(18-10)11-9-20(5-6-21-11)4-3-13(14,15)16/h7,11H,3-6,8-9H2,1-2H3,(H,17,18)/t11-/m0/s1.
What are the key properties of N,N-dimethyl-1-[2-[(2S)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine?
N,N-dimethyl-1-[2-[(2S)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine has a molecular weight of 306.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-[(2S)-4-(3,3,3-trifluoropropyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 125001765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).