N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]propan-2-amine

C10H19N3 — CID 82238183

IUPACN-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]propan-2-amine
SMILESCc1nc(CCNC(C)C)[nH]c1C
InChIInChI=1S/C10H19N3/c1-7(2)11-6-5-10-12-8(3)9(4)13-10/h7,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyGDDYTVVZUWZWNZ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.57
Rot. Bonds4

About N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]propan-2-amine

N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]propan-2-amine (PubChem CID 82238183) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]propan-2-amine
PubChem CID82238183
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]propan-2-amine
SMILESCc1nc(CCNC(C)C)[nH]c1C
InChIInChI=1S/C10H19N3/c1-7(2)11-6-5-10-12-8(3)9(4)13-10/h7,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyGDDYTVVZUWZWNZ-UHFFFAOYSA-N
XLogP1.57
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]propan-2-amine (CID 82238183) is N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]propan-2-amine is Cc1nc(CCNC(C)C)[nH]c1C.
What is the InChIKey of N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]propan-2-amine?
The InChIKey is GDDYTVVZUWZWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-7(2)11-6-5-10-12-8(3)9(4)13-10/h7,11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]propan-2-amine?
N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]propan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1H-imidazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 82238183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).