N,N-diethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine

C10H21N3 — CID 19358901

IUPACN,N-diethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine
SMILESCCN(CC)CCN1C=CN(C)C1
InChIInChI=1S/C10H21N3/c1-4-12(5-2)8-9-13-7-6-11(3)10-13/h6-7H,4-5,8-10H2,1-3H3
InChIKeyCNFGTQHINRVSTG-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.00
Rot. Bonds5

About N,N-diethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine

N,N-diethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine (PubChem CID 19358901) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is N,N-diethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine
PubChem CID19358901
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC NameN,N-diethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine
SMILESCCN(CC)CCN1C=CN(C)C1
InChIInChI=1S/C10H21N3/c1-4-12(5-2)8-9-13-7-6-11(3)10-13/h6-7H,4-5,8-10H2,1-3H3
InChIKeyCNFGTQHINRVSTG-UHFFFAOYSA-N
XLogP1.00
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine (CID 19358901) is N,N-diethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine is CCN(CC)CCN1C=CN(C)C1.
What is the InChIKey of N,N-diethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine?
The InChIKey is CNFGTQHINRVSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-4-12(5-2)8-9-13-7-6-11(3)10-13/h6-7H,4-5,8-10H2,1-3H3.
What are the key properties of N,N-diethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine?
N,N-diethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine has a molecular weight of 183.30 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine is sourced from PubChem (CID 19358901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).