N,N-dimethyl-2-(1,4,5-trimethylimidazol-2-yl)propan-1-amine

C11H21N3 — CID 18685199

IUPACN,N-dimethyl-2-(1,4,5-trimethylimidazol-2-yl)propan-1-amine
SMILESCc1nc(C(C)CN(C)C)n(C)c1C
InChIInChI=1S/C11H21N3/c1-8(7-13(4)5)11-12-9(2)10(3)14(11)6/h8H,7H2,1-6H3
InChIKeyQEVXDUKYYDHEHO-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.70
Rot. Bonds3

About N,N-dimethyl-2-(1,4,5-trimethylimidazol-2-yl)propan-1-amine

N,N-dimethyl-2-(1,4,5-trimethylimidazol-2-yl)propan-1-amine (PubChem CID 18685199) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N,N-dimethyl-2-(1,4,5-trimethylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(1,4,5-trimethylimidazol-2-yl)propan-1-amine
PubChem CID18685199
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN,N-dimethyl-2-(1,4,5-trimethylimidazol-2-yl)propan-1-amine
SMILESCc1nc(C(C)CN(C)C)n(C)c1C
InChIInChI=1S/C11H21N3/c1-8(7-13(4)5)11-12-9(2)10(3)14(11)6/h8H,7H2,1-6H3
InChIKeyQEVXDUKYYDHEHO-UHFFFAOYSA-N
XLogP1.70
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1,4,5-trimethylimidazol-2-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-2-(1,4,5-trimethylimidazol-2-yl)propan-1-amine (CID 18685199) is N,N-dimethyl-2-(1,4,5-trimethylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-2-(1,4,5-trimethylimidazol-2-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-2-(1,4,5-trimethylimidazol-2-yl)propan-1-amine is Cc1nc(C(C)CN(C)C)n(C)c1C.
What is the InChIKey of N,N-dimethyl-2-(1,4,5-trimethylimidazol-2-yl)propan-1-amine?
The InChIKey is QEVXDUKYYDHEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-8(7-13(4)5)11-12-9(2)10(3)14(11)6/h8H,7H2,1-6H3.
What are the key properties of N,N-dimethyl-2-(1,4,5-trimethylimidazol-2-yl)propan-1-amine?
N,N-dimethyl-2-(1,4,5-trimethylimidazol-2-yl)propan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1,4,5-trimethylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 18685199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).