2,2-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopropan-1-amine

C12H21N3 — CID 66162773

IUPAC2,2-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopropan-1-amine
SMILESCC(C)n1cncc1CNC1CC1(C)C
InChIInChI=1S/C12H21N3/c1-9(2)15-8-13-6-10(15)7-14-11-5-12(11,3)4/h6,8-9,11,14H,5,7H2,1-4H3
InChIKeyPJEHLJLOLYKZON-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.35
Rot. Bonds4

About 2,2-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopropan-1-amine

2,2-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopropan-1-amine (PubChem CID 66162773) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopropan-1-amine
PubChem CID66162773
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2,2-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopropan-1-amine
SMILESCC(C)n1cncc1CNC1CC1(C)C
InChIInChI=1S/C12H21N3/c1-9(2)15-8-13-6-10(15)7-14-11-5-12(11,3)4/h6,8-9,11,14H,5,7H2,1-4H3
InChIKeyPJEHLJLOLYKZON-UHFFFAOYSA-N
XLogP2.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 66162393
4-[(3-propan-2-ylimidazol-4-yl)methylamino]cyclohexane-1-carboxylic acid
CID 66161861
2-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopentan-1-amine
CID 66164359
1-methylsulfonyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-4-amine
CID 66131885
1-methyl-5-[(3-propan-2-ylimidazol-4-yl)methylamino]piperidin-2-one
CID 66163592
(1S)-1-cyclohexyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine
CID 81387906
1-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 66164576
N-[(3-propan-2-ylimidazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 66130924
1-propan-2-yl-5-propylimidazole
CID 139308338
2,2-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclopentan-1-amine
CID 79831902
4-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66129675
N'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine
CID 66132307

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopropan-1-amine (CID 66162773) is 2,2-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopropan-1-amine is CC(C)n1cncc1CNC1CC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopropan-1-amine?
The InChIKey is PJEHLJLOLYKZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)15-8-13-6-10(15)7-14-11-5-12(11,3)4/h6,8-9,11,14H,5,7H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopropan-1-amine?
2,2-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 66162773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).