[3-(3-cyclopropylimidazol-4-yl)-4-methylmorpholin-2-yl]methanamine

C12H20N4O — CID 66161936

IUPAC[3-(3-cyclopropylimidazol-4-yl)-4-methylmorpholin-2-yl]methanamine
SMILESCN1CCOC(CN)C1c1cncn1C1CC1
InChIInChI=1S/C12H20N4O/c1-15-4-5-17-11(6-13)12(15)10-7-14-8-16(10)9-2-3-9/h7-9,11-12H,2-6,13H2,1H3
InChIKeySMZQKFWKRYECFI-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.55
Rot. Bonds3

About [3-(3-cyclopropylimidazol-4-yl)-4-methylmorpholin-2-yl]methanamine

[3-(3-cyclopropylimidazol-4-yl)-4-methylmorpholin-2-yl]methanamine (PubChem CID 66161936) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is [3-(3-cyclopropylimidazol-4-yl)-4-methylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(3-cyclopropylimidazol-4-yl)-4-methylmorpholin-2-yl]methanamine
PubChem CID66161936
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name[3-(3-cyclopropylimidazol-4-yl)-4-methylmorpholin-2-yl]methanamine
SMILESCN1CCOC(CN)C1c1cncn1C1CC1
InChIInChI=1S/C12H20N4O/c1-15-4-5-17-11(6-13)12(15)10-7-14-8-16(10)9-2-3-9/h7-9,11-12H,2-6,13H2,1H3
InChIKeySMZQKFWKRYECFI-UHFFFAOYSA-N
XLogP0.55
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,3S)-4-methyl-3-(2-methylpyrazol-3-yl)morpholin-2-yl]methanamine
CID 124602691
1-[4-cyclopropyl-3-(3-cyclopropylimidazol-4-yl)morpholin-2-yl]-N-methylmethanamine
CID 66162950
[2-(3-cyclopropylimidazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine
CID 66162340
2-(3-cyclopropylimidazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 66163942
[(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine
CID 124832574
N-[[4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]propan-2-amine
CID 66118550
1-[1-cyclopropyl-2-(3-cyclopropylimidazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 66161757
2-methyl-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyrazole-3-sulfonamide
CID 154761061
[3-(3-chloro-5-fluorophenyl)-4-cyclopropylmorpholin-2-yl]methanamine
CID 114454774
1-[2-(3-cyclopropylimidazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 66163144
5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-1-cyclopropylimidazole
CID 82775389
6-methoxy-N-[[(2S,3S)-4-methyl-3-(3-methylimidazol-4-yl)morpholin-2-yl]methyl]pyridine-3-carboxamide
CID 154801391

Frequently Asked Questions

What is the IUPAC name of [3-(3-cyclopropylimidazol-4-yl)-4-methylmorpholin-2-yl]methanamine?
The IUPAC name of [3-(3-cyclopropylimidazol-4-yl)-4-methylmorpholin-2-yl]methanamine (CID 66161936) is [3-(3-cyclopropylimidazol-4-yl)-4-methylmorpholin-2-yl]methanamine.
What is the SMILES notation for [3-(3-cyclopropylimidazol-4-yl)-4-methylmorpholin-2-yl]methanamine?
The canonical SMILES for [3-(3-cyclopropylimidazol-4-yl)-4-methylmorpholin-2-yl]methanamine is CN1CCOC(CN)C1c1cncn1C1CC1.
What is the InChIKey of [3-(3-cyclopropylimidazol-4-yl)-4-methylmorpholin-2-yl]methanamine?
The InChIKey is SMZQKFWKRYECFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15-4-5-17-11(6-13)12(15)10-7-14-8-16(10)9-2-3-9/h7-9,11-12H,2-6,13H2,1H3.
What are the key properties of [3-(3-cyclopropylimidazol-4-yl)-4-methylmorpholin-2-yl]methanamine?
[3-(3-cyclopropylimidazol-4-yl)-4-methylmorpholin-2-yl]methanamine has a molecular weight of 236.32 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-cyclopropylimidazol-4-yl)-4-methylmorpholin-2-yl]methanamine is sourced from PubChem (CID 66161936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).