N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine

C11H21N3O2 — CID 106556138

IUPACN,1-bis(1-methoxypropan-2-yl)imidazol-2-amine
SMILESCOCC(C)Nc1nccn1C(C)COC
InChIInChI=1S/C11H21N3O2/c1-9(7-15-3)13-11-12-5-6-14(11)10(2)8-16-4/h5-6,9-10H,7-8H2,1-4H3,(H,12,13)
InChIKeyBAGRYPARUKFJDW-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.54
Rot. Bonds7

About N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine

N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine (PubChem CID 106556138) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine.

Molecular Properties

Compound NameN,1-bis(1-methoxypropan-2-yl)imidazol-2-amine
PubChem CID106556138
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN,1-bis(1-methoxypropan-2-yl)imidazol-2-amine
SMILESCOCC(C)Nc1nccn1C(C)COC
InChIInChI=1S/C11H21N3O2/c1-9(7-15-3)13-11-12-5-6-14(11)10(2)8-16-4/h5-6,9-10H,7-8H2,1-4H3,(H,12,13)
InChIKeyBAGRYPARUKFJDW-UHFFFAOYSA-N
XLogP1.54
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 106578621
1-(1-methoxypropan-2-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine
CID 106567569
N-(1-methoxypropan-2-yl)-1-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine
CID 106567567
N-(1-methoxypropan-2-yl)-1-(4-phenylbutan-2-yl)imidazol-2-amine
CID 106567227
N-[1-(4-fluorophenyl)propan-2-yl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106571697
N-(1-methoxypropan-2-yl)-1-(1-pyridin-4-ylethyl)imidazol-2-amine
CID 106561999
N-(2,2-dimethylpropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106563648
N-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)imidazol-2-amine
CID 106562209
N-(cyclopropylmethyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106555195
N-(1-methoxypropan-2-yl)-1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106579737
N-(1-methoxypropan-2-yl)-1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine
CID 106567986
N-(1-methoxypropan-2-yl)-1-(3-methylbutyl)imidazol-2-amine
CID 106557283

Frequently Asked Questions

What is the IUPAC name of N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine?
The IUPAC name of N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine (CID 106556138) is N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine.
What is the SMILES notation for N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine?
The canonical SMILES for N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine is COCC(C)Nc1nccn1C(C)COC.
What is the InChIKey of N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine?
The InChIKey is BAGRYPARUKFJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-9(7-15-3)13-11-12-5-6-14(11)10(2)8-16-4/h5-6,9-10H,7-8H2,1-4H3,(H,12,13).
What are the key properties of N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine?
N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine has a molecular weight of 227.31 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106556138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).