1-[4-(4,5-dihydro-1H-imidazol-2-yl)morpholin-2-yl]-N-methylmethanamine

C9H18N4O — CID 114400603

IUPAC1-[4-(4,5-dihydro-1H-imidazol-2-yl)morpholin-2-yl]-N-methylmethanamine
SMILESCNCC1CN(C2=NCCN2)CCO1
InChIInChI=1S/C9H18N4O/c1-10-6-8-7-13(4-5-14-8)9-11-2-3-12-9/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyXHZVJGUCCWVSBM-UHFFFAOYSA-N
MW198.27 g/mol
LogP-1.13
Rot. Bonds2

About 1-[4-(4,5-dihydro-1H-imidazol-2-yl)morpholin-2-yl]-N-methylmethanamine

1-[4-(4,5-dihydro-1H-imidazol-2-yl)morpholin-2-yl]-N-methylmethanamine (PubChem CID 114400603) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-[4-(4,5-dihydro-1H-imidazol-2-yl)morpholin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(4,5-dihydro-1H-imidazol-2-yl)morpholin-2-yl]-N-methylmethanamine
PubChem CID114400603
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name1-[4-(4,5-dihydro-1H-imidazol-2-yl)morpholin-2-yl]-N-methylmethanamine
SMILESCNCC1CN(C2=NCCN2)CCO1
InChIInChI=1S/C9H18N4O/c1-10-6-8-7-13(4-5-14-8)9-11-2-3-12-9/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyXHZVJGUCCWVSBM-UHFFFAOYSA-N
XLogP-1.13
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[2-(methylaminomethyl)morpholin-4-yl]-1H-pyrimidin-6-one
CID 136978852
1-[4-(2-bromo-4-methylphenyl)morpholin-2-yl]-N-methylmethanamine
CID 82308310
1-[4-(3-bromo-5-chloro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine
CID 114836366
1-[4-(2-methoxy-5-methylphenyl)morpholin-2-yl]-N-methylmethanamine
CID 82297538
4-bromo-5-[2-(methylaminomethyl)morpholin-4-yl]-2-propan-2-ylpyridazin-3-one
CID 114446623
1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]-N-methylmethanamine
CID 112635080
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(2R)-2-(methylaminomethyl)morpholin-4-yl]pyrimidin-4-amine
CID 169170276
1-[4-(3-bromo-5-nitro-4-pyridinyl)morpholin-2-yl]-N-methylmethanamine
CID 103519667
13-[(2R)-2-(methylaminomethyl)morpholin-4-yl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile
CID 58365065
cyclopropyl-[(2S)-2-(methylaminomethyl)morpholin-4-yl]methanone
CID 166684105
(2R)-2-(methylaminomethyl)morpholine-4-carboxylic acid
CID 138694205
4-chloro-5-[2-(methylaminomethyl)morpholin-4-yl]-2-(2-methylpropyl)pyridazin-3-one
CID 114446614

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,5-dihydro-1H-imidazol-2-yl)morpholin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(4,5-dihydro-1H-imidazol-2-yl)morpholin-2-yl]-N-methylmethanamine (CID 114400603) is 1-[4-(4,5-dihydro-1H-imidazol-2-yl)morpholin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(4,5-dihydro-1H-imidazol-2-yl)morpholin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(4,5-dihydro-1H-imidazol-2-yl)morpholin-2-yl]-N-methylmethanamine is CNCC1CN(C2=NCCN2)CCO1.
What is the InChIKey of 1-[4-(4,5-dihydro-1H-imidazol-2-yl)morpholin-2-yl]-N-methylmethanamine?
The InChIKey is XHZVJGUCCWVSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-10-6-8-7-13(4-5-14-8)9-11-2-3-12-9/h8,10H,2-7H2,1H3,(H,11,12).
What are the key properties of 1-[4-(4,5-dihydro-1H-imidazol-2-yl)morpholin-2-yl]-N-methylmethanamine?
1-[4-(4,5-dihydro-1H-imidazol-2-yl)morpholin-2-yl]-N-methylmethanamine has a molecular weight of 198.27 g/mol, XLogP of -1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,5-dihydro-1H-imidazol-2-yl)morpholin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 114400603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).