N,N-dimethyl-1-[2-[(2S)-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]-1H-imidazol-5-yl]methanamine

C17H25N5O — CID 124969049

IUPACN,N-dimethyl-1-[2-[(2S)-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]-1H-imidazol-5-yl]methanamine
SMILESCc1cccc(CN2CCO[C@H](c3ncc(CN(C)C)[nH]3)C2)n1
InChIInChI=1S/C17H25N5O/c1-13-5-4-6-14(19-13)11-22-7-8-23-16(12-22)17-18-9-15(20-17)10-21(2)3/h4-6,9,16H,7-8,10-12H2,1-3H3,(H,18,20)/t16-/m0/s1
InChIKeyJFOAVQPOTJSOTA-INIZCTEOSA-N
MW315.42 g/mol
LogP1.75
Rot. Bonds5

About N,N-dimethyl-1-[2-[(2S)-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]-1H-imidazol-5-yl]methanamine

N,N-dimethyl-1-[2-[(2S)-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]-1H-imidazol-5-yl]methanamine (PubChem CID 124969049) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-[(2S)-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-[(2S)-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]-1H-imidazol-5-yl]methanamine
PubChem CID124969049
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN,N-dimethyl-1-[2-[(2S)-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]-1H-imidazol-5-yl]methanamine
SMILESCc1cccc(CN2CCO[C@H](c3ncc(CN(C)C)[nH]3)C2)n1
InChIInChI=1S/C17H25N5O/c1-13-5-4-6-14(19-13)11-22-7-8-23-16(12-22)17-18-9-15(20-17)10-21(2)3/h4-6,9,16H,7-8,10-12H2,1-3H3,(H,18,20)/t16-/m0/s1
InChIKeyJFOAVQPOTJSOTA-INIZCTEOSA-N
XLogP1.75
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-[2-[4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-imidazol-5-yl]methanamine
CID 110117068
1-[2-[4-(cyclohexylmethyl)morpholin-2-yl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine
CID 110117065
4-[(6-methyl-2-pyridinyl)methyl]-2-pyrazin-2-ylmorpholine
CID 110103190
N-methyl-6-[(2R)-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]pyridin-2-amine
CID 124972365
(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine
CID 124960812
(2S)-2-(5-methyl-1H-imidazol-2-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine
CID 124960811
[2-(4-propylmorpholin-2-yl)-1H-imidazol-5-yl]methanamine
CID 79657962
N-[2-[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-2-oxoethyl]acetamide
CID 110117072
2-[4-[(5-chloro-2-pyridinyl)methyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136844262
2-(5-methylpyrazin-2-yl)-4-[(2-methylpyrimidin-4-yl)methyl]morpholine
CID 110103266
(2R)-4-(1H-imidazol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 125017640
2-[6-(4-methylphenyl)triazolo[1,5-a]pyridin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]morpholine
CID 131671017

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-[(2S)-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]-1H-imidazol-5-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[2-[(2S)-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]-1H-imidazol-5-yl]methanamine (CID 124969049) is N,N-dimethyl-1-[2-[(2S)-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-[(2S)-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]-1H-imidazol-5-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[2-[(2S)-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]-1H-imidazol-5-yl]methanamine is Cc1cccc(CN2CCO[C@H](c3ncc(CN(C)C)[nH]3)C2)n1.
What is the InChIKey of N,N-dimethyl-1-[2-[(2S)-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]-1H-imidazol-5-yl]methanamine?
The InChIKey is JFOAVQPOTJSOTA-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25N5O/c1-13-5-4-6-14(19-13)11-22-7-8-23-16(12-22)17-18-9-15(20-17)10-21(2)3/h4-6,9,16H,7-8,10-12H2,1-3H3,(H,18,20)/t16-/m0/s1.
What are the key properties of N,N-dimethyl-1-[2-[(2S)-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]-1H-imidazol-5-yl]methanamine?
N,N-dimethyl-1-[2-[(2S)-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]-1H-imidazol-5-yl]methanamine has a molecular weight of 315.42 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-[(2S)-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 124969049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).