N-(cyclobutylmethyl)-1-(4,5-dimethylimidazol-1-yl)propan-2-amine

C13H23N3 — CID 115888436

IUPACN-(cyclobutylmethyl)-1-(4,5-dimethylimidazol-1-yl)propan-2-amine
SMILESCc1ncn(CC(C)NCC2CCC2)c1C
InChIInChI=1S/C13H23N3/c1-10(14-7-13-5-4-6-13)8-16-9-15-11(2)12(16)3/h9-10,13-14H,4-8H2,1-3H3
InChIKeyJTEVJQSHXAMGTH-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.28
Rot. Bonds5

About N-(cyclobutylmethyl)-1-(4,5-dimethylimidazol-1-yl)propan-2-amine

N-(cyclobutylmethyl)-1-(4,5-dimethylimidazol-1-yl)propan-2-amine (PubChem CID 115888436) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-(4,5-dimethylimidazol-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-(4,5-dimethylimidazol-1-yl)propan-2-amine
PubChem CID115888436
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-(cyclobutylmethyl)-1-(4,5-dimethylimidazol-1-yl)propan-2-amine
SMILESCc1ncn(CC(C)NCC2CCC2)c1C
InChIInChI=1S/C13H23N3/c1-10(14-7-13-5-4-6-13)8-16-9-15-11(2)12(16)3/h9-10,13-14H,4-8H2,1-3H3
InChIKeyJTEVJQSHXAMGTH-UHFFFAOYSA-N
XLogP2.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-(4,5-dimethylimidazol-1-yl)propan-2-amine?
The IUPAC name of N-(cyclobutylmethyl)-1-(4,5-dimethylimidazol-1-yl)propan-2-amine (CID 115888436) is N-(cyclobutylmethyl)-1-(4,5-dimethylimidazol-1-yl)propan-2-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-1-(4,5-dimethylimidazol-1-yl)propan-2-amine?
The canonical SMILES for N-(cyclobutylmethyl)-1-(4,5-dimethylimidazol-1-yl)propan-2-amine is Cc1ncn(CC(C)NCC2CCC2)c1C.
What is the InChIKey of N-(cyclobutylmethyl)-1-(4,5-dimethylimidazol-1-yl)propan-2-amine?
The InChIKey is JTEVJQSHXAMGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(14-7-13-5-4-6-13)8-16-9-15-11(2)12(16)3/h9-10,13-14H,4-8H2,1-3H3.
What are the key properties of N-(cyclobutylmethyl)-1-(4,5-dimethylimidazol-1-yl)propan-2-amine?
N-(cyclobutylmethyl)-1-(4,5-dimethylimidazol-1-yl)propan-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-(4,5-dimethylimidazol-1-yl)propan-2-amine is sourced from PubChem (CID 115888436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).