1-[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine

C9H17N3O — CID 79198080

IUPAC1-[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(C(C)(C)OC)[nH]1
InChIInChI=1S/C9H17N3O/c1-9(2,13-4)8-11-6-7(12-8)5-10-3/h6,10H,5H2,1-4H3,(H,11,12)
InChIKeyYPCYFUILHFULIN-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.01
Rot. Bonds4

About 1-[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine

1-[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine (PubChem CID 79198080) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine
PubChem CID79198080
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(C(C)(C)OC)[nH]1
InChIInChI=1S/C9H17N3O/c1-9(2,13-4)8-11-6-7(12-8)5-10-3/h6,10H,5H2,1-4H3,(H,11,12)
InChIKeyYPCYFUILHFULIN-UHFFFAOYSA-N
XLogP1.01
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]methyl]ethanamine
CID 79198081
5-bromo-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79202712
1-[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 116732160
N-methyl-1-(2-propyl-1H-imidazol-5-yl)methanamine
CID 63108982
1-[2-(fluoromethyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 84762762
1-[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 104611931
N-methyl-1-[2-(3,3,3-trifluoropropyl)-1H-imidazol-5-yl]methanamine
CID 79964687
2-(2-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 114206362
N-[[2-(trichloromethyl)-1H-imidazol-5-yl]methyl]ethanamine
CID 165462427
1-[2-(ethylsulfanylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 65129902
2-[5-(methylaminomethyl)-1H-imidazol-2-yl]acetamide
CID 63108748
1-[2-(2,6-dimethyl-4-pyridinyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 107504565

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine (CID 79198080) is 1-[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine is CNCc1cnc(C(C)(C)OC)[nH]1.
What is the InChIKey of 1-[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine?
The InChIKey is YPCYFUILHFULIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(2,13-4)8-11-6-7(12-8)5-10-3/h6,10H,5H2,1-4H3,(H,11,12).
What are the key properties of 1-[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine?
1-[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine has a molecular weight of 183.25 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 79198080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).