N,N-dimethyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanamine

C13H21N5 — CID 56869435

IUPACN,N-dimethyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanamine
SMILESCCCn1ccnc1-c1nccn1CCN(C)C
InChIInChI=1S/C13H21N5/c1-4-7-17-8-5-14-12(17)13-15-6-9-18(13)11-10-16(2)3/h5-6,8-9H,4,7,10-11H2,1-3H3
InChIKeyRQMIUYAWVOTWOS-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.72
Rot. Bonds6

About N,N-dimethyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanamine

N,N-dimethyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanamine (PubChem CID 56869435) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanamine
PubChem CID56869435
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN,N-dimethyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanamine
SMILESCCCn1ccnc1-c1nccn1CCN(C)C
InChIInChI=1S/C13H21N5/c1-4-7-17-8-5-14-12(17)13-15-6-9-18(13)11-10-16(2)3/h5-6,8-9H,4,7,10-11H2,1-3H3
InChIKeyRQMIUYAWVOTWOS-UHFFFAOYSA-N
XLogP1.72
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanamine (CID 56869435) is N,N-dimethyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanamine is CCCn1ccnc1-c1nccn1CCN(C)C.
What is the InChIKey of N,N-dimethyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanamine?
The InChIKey is RQMIUYAWVOTWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-4-7-17-8-5-14-12(17)13-15-6-9-18(13)11-10-16(2)3/h5-6,8-9H,4,7,10-11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanamine?
N,N-dimethyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanamine has a molecular weight of 247.35 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanamine is sourced from PubChem (CID 56869435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).