N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine

C18H25N3 — CID 60867861

IUPACN-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
SMILESCC(C)(C)c1ccc(-c2cnc(CCNC3CC3)[nH]2)cc1
InChIInChI=1S/C18H25N3/c1-18(2,3)14-6-4-13(5-7-14)16-12-20-17(21-16)10-11-19-15-8-9-15/h4-7,12,15,19H,8-11H2,1-3H3,(H,20,21)
InChIKeyDETCJGKAXDFUCG-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.67
Rot. Bonds5

About N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine

N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine (PubChem CID 60867861) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
PubChem CID60867861
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
SMILESCC(C)(C)c1ccc(-c2cnc(CCNC3CC3)[nH]2)cc1
InChIInChI=1S/C18H25N3/c1-18(2,3)14-6-4-13(5-7-14)16-12-20-17(21-16)10-11-19-15-8-9-15/h4-7,12,15,19H,8-11H2,1-3H3,(H,20,21)
InChIKeyDETCJGKAXDFUCG-UHFFFAOYSA-N
XLogP3.67
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[7-[5-(4-fluorophenyl)-1H-imidazol-2-yl]heptyl]cyclobutanamine
CID 70074424
N-[2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60868569
N-[2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60865893
N-[[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine
CID 60842321
N-[2-[5-(2-methoxy-5-methylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60867500
N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60866079
benzyl N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 10270952
N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine
CID 60841056
N-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852379
4-[2-[2-(tert-butylamino)ethyl]-1H-imidazol-5-yl]benzonitrile
CID 60850121
2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 95474591
5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine
CID 63530445

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine (CID 60867861) is N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine is CC(C)(C)c1ccc(-c2cnc(CCNC3CC3)[nH]2)cc1.
What is the InChIKey of N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine?
The InChIKey is DETCJGKAXDFUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-18(2,3)14-6-4-13(5-7-14)16-12-20-17(21-16)10-11-19-15-8-9-15/h4-7,12,15,19H,8-11H2,1-3H3,(H,20,21).
What are the key properties of N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine?
N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine has a molecular weight of 283.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 60867861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).