N-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methyl-4,5-dihydroimidazol-2-amine

C14H27N3O — CID 122099407

IUPACN-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C
InChIInChI=1S/C14H27N3O/c1-13(2,3)18-11-9-10(14(11,4)5)16-12-15-7-8-17(12)6/h10-11H,7-9H2,1-6H3,(H,15,16)/t10-,11+/m1/s1
InChIKeyYDNBDVGHHQLRSQ-MNOVXSKESA-N
MW253.39 g/mol
LogP1.86
Rot. Bonds2

About N-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methyl-4,5-dihydroimidazol-2-amine

N-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 122099407) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID122099407
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C
InChIInChI=1S/C14H27N3O/c1-13(2,3)18-11-9-10(14(11,4)5)16-12-15-7-8-17(12)6/h10-11H,7-9H2,1-6H3,(H,15,16)/t10-,11+/m1/s1
InChIKeyYDNBDVGHHQLRSQ-MNOVXSKESA-N
XLogP1.86
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 109390666
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CID 112002503
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CID 112002504
CID 112002504
CID 120049839
CID 120049839
CID 120049907
CID 120049907
CID 75482202
CID 75482202
CID 75482203
CID 75482203
CID 75533837
CID 75533837
CID 75533838
CID 75533838
CID 91644029
CID 91644029
CID 91644030
CID 91644030
CID 95781630
CID 95781630

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 122099407) is N-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methyl-4,5-dihydroimidazol-2-amine is CN1CCN=C1N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C.
What is the InChIKey of N-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is YDNBDVGHHQLRSQ-MNOVXSKESA-N. The full InChI is InChI=1S/C14H27N3O/c1-13(2,3)18-11-9-10(14(11,4)5)16-12-15-7-8-17(12)6/h10-11H,7-9H2,1-6H3,(H,15,16)/t10-,11+/m1/s1.
What are the key properties of N-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methyl-4,5-dihydroimidazol-2-amine?
N-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 253.39 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 122099407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).