5-methyl-5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine

C13H25N3O — CID 79504816

IUPAC5-methyl-5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
SMILESCC(C)CC1(C)CN=C(N)N1CC1CCCO1
InChIInChI=1S/C13H25N3O/c1-10(2)7-13(3)9-15-12(14)16(13)8-11-5-4-6-17-11/h10-11H,4-9H2,1-3H3,(H2,14,15)
InChIKeyIYQNDUISCLWBFG-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.60
Rot. Bonds4

About 5-methyl-5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine

5-methyl-5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine (PubChem CID 79504816) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-methyl-5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-methyl-5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
PubChem CID79504816
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name5-methyl-5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
SMILESCC(C)CC1(C)CN=C(N)N1CC1CCCO1
InChIInChI=1S/C13H25N3O/c1-10(2)7-13(3)9-15-12(14)16(13)8-11-5-4-6-17-11/h10-11H,4-9H2,1-3H3,(H2,14,15)
InChIKeyIYQNDUISCLWBFG-UHFFFAOYSA-N
XLogP1.60
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505489
5-cyclohexyl-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
CID 79504971
8-methyl-1-(oxolan-2-ylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-amine
CID 79505483
7,9-dimethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504734
6-methyl-1-(oxolan-2-ylmethyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 114080281
8-methyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79504736
8-ethyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.6]undec-2-en-2-amine
CID 79504811
9-methylsulfonyl-1-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79504740
1-[2-(diethylamino)ethyl]-5-methyl-5-(2-methylpropyl)-4H-imidazol-2-amine
CID 79514693
5-(4-bromo-2-chlorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
CID 82776453
1'-(oxolan-2-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-4H-imidazole]-2'-amine
CID 79499139
5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 79505720

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
The IUPAC name of 5-methyl-5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine (CID 79504816) is 5-methyl-5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-methyl-5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-methyl-5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine is CC(C)CC1(C)CN=C(N)N1CC1CCCO1.
What is the InChIKey of 5-methyl-5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
The InChIKey is IYQNDUISCLWBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10(2)7-13(3)9-15-12(14)16(13)8-11-5-4-6-17-11/h10-11H,4-9H2,1-3H3,(H2,14,15).
What are the key properties of 5-methyl-5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
5-methyl-5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine has a molecular weight of 239.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79504816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).