N-(3,3-dimethylbutyl)-1-propan-2-ylimidazol-2-amine

C12H23N3 — CID 106581739

IUPACN-(3,3-dimethylbutyl)-1-propan-2-ylimidazol-2-amine
SMILESCC(C)n1ccnc1NCCC(C)(C)C
InChIInChI=1S/C12H23N3/c1-10(2)15-9-8-14-11(15)13-7-6-12(3,4)5/h8-10H,6-7H2,1-5H3,(H,13,14)
InChIKeyUVZODOLPWBNRHC-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.31
Rot. Bonds4

About N-(3,3-dimethylbutyl)-1-propan-2-ylimidazol-2-amine

N-(3,3-dimethylbutyl)-1-propan-2-ylimidazol-2-amine (PubChem CID 106581739) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-1-propan-2-ylimidazol-2-amine
PubChem CID106581739
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-(3,3-dimethylbutyl)-1-propan-2-ylimidazol-2-amine
SMILESCC(C)n1ccnc1NCCC(C)(C)C
InChIInChI=1S/C12H23N3/c1-10(2)15-9-8-14-11(15)13-7-6-12(3,4)5/h8-10H,6-7H2,1-5H3,(H,13,14)
InChIKeyUVZODOLPWBNRHC-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine
CID 106554838
1-propan-2-yl-N-(2-propan-2-yloxyethyl)imidazol-2-amine
CID 106581608
N-(3-methylsulfanylpropyl)-1-propan-2-ylimidazol-2-amine
CID 106573657
N-(2-cyclohexylethyl)-1-propan-2-ylimidazol-2-amine
CID 106563351
N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine
CID 106554823
N-(2-butoxyethyl)-1-propan-2-ylimidazol-2-amine
CID 106568337
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylimidazol-2-amine
CID 106571805
N'-methyl-N'-phenyl-N-(1-propan-2-ylimidazol-2-yl)propane-1,3-diamine
CID 106556651
N-(piperidin-4-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 115033628
1-(1-methylsulfanylpropan-2-yl)-N-propylimidazol-2-amine
CID 106581355
N-(2,2-dimethylpropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106563648
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3-dimethylbutan-1-amine
CID 115641541

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-1-propan-2-ylimidazol-2-amine?
The IUPAC name of N-(3,3-dimethylbutyl)-1-propan-2-ylimidazol-2-amine (CID 106581739) is N-(3,3-dimethylbutyl)-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for N-(3,3-dimethylbutyl)-1-propan-2-ylimidazol-2-amine is CC(C)n1ccnc1NCCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-1-propan-2-ylimidazol-2-amine?
The InChIKey is UVZODOLPWBNRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-10(2)15-9-8-14-11(15)13-7-6-12(3,4)5/h8-10H,6-7H2,1-5H3,(H,13,14).
What are the key properties of N-(3,3-dimethylbutyl)-1-propan-2-ylimidazol-2-amine?
N-(3,3-dimethylbutyl)-1-propan-2-ylimidazol-2-amine has a molecular weight of 209.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106581739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).