N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

C15H28N4O — CID 106583085

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1NCC1(N(C)C)CCC1
InChIInChI=1S/C15H28N4O/c1-12-9-19(13(2)10-20-5)14(17-12)16-11-15(18(3)4)7-6-8-15/h9,13H,6-8,10-11H2,1-5H3,(H,16,17)
InChIKeyMPGOOLAVVXNXLP-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.30
Rot. Bonds7

About N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (PubChem CID 106583085) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
PubChem CID106583085
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)n1cc(C)nc1NCC1(N(C)C)CCC1
InChIInChI=1S/C15H28N4O/c1-12-9-19(13(2)10-20-5)14(17-12)16-11-15(18(3)4)7-6-8-15/h9,13H,6-8,10-11H2,1-5H3,(H,16,17)
InChIKeyMPGOOLAVVXNXLP-UHFFFAOYSA-N
XLogP2.30
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (CID 106583085) is N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is COCC(C)n1cc(C)nc1NCC1(N(C)C)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The InChIKey is MPGOOLAVVXNXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-12-9-19(13(2)10-20-5)14(17-12)16-11-15(18(3)4)7-6-8-15/h9,13H,6-8,10-11H2,1-5H3,(H,16,17).
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine has a molecular weight of 280.42 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106583085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).