N-[(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclopropanamine

C13H19N5 — CID 50984119

IUPACN-[(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclopropanamine
SMILESCc1[nH]cnc1CN(Cc1nccn1C)C1CC1
InChIInChI=1S/C13H19N5/c1-10-12(16-9-15-10)7-18(11-3-4-11)8-13-14-5-6-17(13)2/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyPIHDDPGRMBSSMC-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.62
Rot. Bonds5

About N-[(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclopropanamine

N-[(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclopropanamine (PubChem CID 50984119) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclopropanamine
PubChem CID50984119
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclopropanamine
SMILESCc1[nH]cnc1CN(Cc1nccn1C)C1CC1
InChIInChI=1S/C13H19N5/c1-10-12(16-9-15-10)7-18(11-3-4-11)8-13-14-5-6-17(13)2/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyPIHDDPGRMBSSMC-UHFFFAOYSA-N
XLogP1.62
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclopropanamine (CID 50984119) is N-[(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclopropanamine is Cc1[nH]cnc1CN(Cc1nccn1C)C1CC1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclopropanamine?
The InChIKey is PIHDDPGRMBSSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10-12(16-9-15-10)7-18(11-3-4-11)8-13-14-5-6-17(13)2/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclopropanamine?
N-[(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclopropanamine has a molecular weight of 245.33 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 50984119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).