N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)cyclopropanamine

C13H24N4 — CID 107500803

IUPACN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)cyclopropanamine
SMILESCC(C)CN(Cc1cn(CCN)cn1)C1CC1
InChIInChI=1S/C13H24N4/c1-11(2)7-17(13-3-4-13)9-12-8-16(6-5-14)10-15-12/h8,10-11,13H,3-7,9,14H2,1-2H3
InChIKeyUQEDIFUQHVQGBJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.46
Rot. Bonds7

About N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)cyclopropanamine

N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)cyclopropanamine (PubChem CID 107500803) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)cyclopropanamine
PubChem CID107500803
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)cyclopropanamine
SMILESCC(C)CN(Cc1cn(CCN)cn1)C1CC1
InChIInChI=1S/C13H24N4/c1-11(2)7-17(13-3-4-13)9-12-8-16(6-5-14)10-15-12/h8,10-11,13H,3-7,9,14H2,1-2H3
InChIKeyUQEDIFUQHVQGBJ-UHFFFAOYSA-N
XLogP1.46
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)cyclopropanamine?
The IUPAC name of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)cyclopropanamine (CID 107500803) is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)cyclopropanamine.
What is the SMILES notation for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)cyclopropanamine?
The canonical SMILES for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)cyclopropanamine is CC(C)CN(Cc1cn(CCN)cn1)C1CC1.
What is the InChIKey of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)cyclopropanamine?
The InChIKey is UQEDIFUQHVQGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(2)7-17(13-3-4-13)9-12-8-16(6-5-14)10-15-12/h8,10-11,13H,3-7,9,14H2,1-2H3.
What are the key properties of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)cyclopropanamine?
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)cyclopropanamine has a molecular weight of 236.36 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)cyclopropanamine is sourced from PubChem (CID 107500803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).