N-[[3-(2,2-dimethylcyclopropyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine

C13H23N3 — CID 66150324

IUPACN-[[3-(2,2-dimethylcyclopropyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cncn1C1CC1(C)C
InChIInChI=1S/C13H23N3/c1-12(2,3)15-8-10-7-14-9-16(10)11-6-13(11,4)5/h7,9,11,15H,6,8H2,1-5H3
InChIKeyQFDGHCFJPIYOLO-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.74
Rot. Bonds3

About N-[[3-(2,2-dimethylcyclopropyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[3-(2,2-dimethylcyclopropyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66150324) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[[3-(2,2-dimethylcyclopropyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(2,2-dimethylcyclopropyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID66150324
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[[3-(2,2-dimethylcyclopropyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cncn1C1CC1(C)C
InChIInChI=1S/C13H23N3/c1-12(2,3)15-8-10-7-14-9-16(10)11-6-13(11,4)5/h7,9,11,15H,6,8H2,1-5H3
InChIKeyQFDGHCFJPIYOLO-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66150941
2-methyl-N-[[3-(3-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
CID 66146727
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 114130251
2-methyl-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine
CID 103968580
3-(2,2-dimethylcyclopropyl)imidazole-4-carbaldehyde
CID 66147005
1-[3-(3,3-dimethylcyclopentyl)imidazol-4-yl]-N-methylmethanamine
CID 114541577
2-methyl-N-[[3-(2-methylpentan-3-yl)imidazol-4-yl]methyl]propan-2-amine
CID 66148627
2,2-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopropan-1-amine
CID 66162773
1-[3-(4,4-dimethylcyclohexyl)imidazol-4-yl]-N-methylmethanamine
CID 66151421
2-methyl-N-[[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]methyl]propan-2-amine
CID 66146334
2-methyl-N-[[3-(4-methylpentyl)imidazol-4-yl]methyl]propan-2-amine
CID 66150352
N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66146275

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,2-dimethylcyclopropyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(2,2-dimethylcyclopropyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine (CID 66150324) is N-[[3-(2,2-dimethylcyclopropyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(2,2-dimethylcyclopropyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(2,2-dimethylcyclopropyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cncn1C1CC1(C)C.
What is the InChIKey of N-[[3-(2,2-dimethylcyclopropyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is QFDGHCFJPIYOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-12(2,3)15-8-10-7-14-9-16(10)11-6-13(11,4)5/h7,9,11,15H,6,8H2,1-5H3.
What are the key properties of N-[[3-(2,2-dimethylcyclopropyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3-(2,2-dimethylcyclopropyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,2-dimethylcyclopropyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66150324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).