N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-yl]methyl]cyclopropanamine

C13H23N3O — CID 112591061

IUPACN-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-yl]methyl]cyclopropanamine
SMILESCC(C)(C)OCCn1ccnc1CNC1CC1
InChIInChI=1S/C13H23N3O/c1-13(2,3)17-9-8-16-7-6-14-12(16)10-15-11-4-5-11/h6-7,11,15H,4-5,8-10H2,1-3H3
InChIKeyZFAPUSJPVDZUKS-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.95
Rot. Bonds6

About N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-yl]methyl]cyclopropanamine

N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-yl]methyl]cyclopropanamine (PubChem CID 112591061) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-yl]methyl]cyclopropanamine
PubChem CID112591061
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-yl]methyl]cyclopropanamine
SMILESCC(C)(C)OCCn1ccnc1CNC1CC1
InChIInChI=1S/C13H23N3O/c1-13(2,3)17-9-8-16-7-6-14-12(16)10-15-11-4-5-11/h6-7,11,15H,4-5,8-10H2,1-3H3
InChIKeyZFAPUSJPVDZUKS-UHFFFAOYSA-N
XLogP1.95
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-yl]methyl]cyclopropanamine (CID 112591061) is N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-yl]methyl]cyclopropanamine is CC(C)(C)OCCn1ccnc1CNC1CC1.
What is the InChIKey of N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-yl]methyl]cyclopropanamine?
The InChIKey is ZFAPUSJPVDZUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(2,3)17-9-8-16-7-6-14-12(16)10-15-11-4-5-11/h6-7,11,15H,4-5,8-10H2,1-3H3.
What are the key properties of N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-yl]methyl]cyclopropanamine?
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-yl]methyl]cyclopropanamine has a molecular weight of 237.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 112591061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).