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

C8H15N3 — CID 20597092

IUPACN-[2-(1H-imidazol-5-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1cnc[nH]1
InChIInChI=1S/C8H15N3/c1-7(2)10-4-3-8-5-9-6-11-8/h5-7,10H,3-4H2,1-2H3,(H,9,11)
InChIKeyCJYIEMJRALMYLB-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.95
Rot. Bonds4

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

N-[2-(1H-imidazol-5-yl)ethyl]propan-2-amine (PubChem CID 20597092) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]propan-2-amine
PubChem CID20597092
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1cnc[nH]1
InChIInChI=1S/C8H15N3/c1-7(2)10-4-3-8-5-9-6-11-8/h5-7,10H,3-4H2,1-2H3,(H,9,11)
InChIKeyCJYIEMJRALMYLB-UHFFFAOYSA-N
XLogP0.95
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]propan-2-amine (CID 20597092) is N-[2-(1H-imidazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]propan-2-amine is CC(C)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]propan-2-amine?
The InChIKey is CJYIEMJRALMYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-7(2)10-4-3-8-5-9-6-11-8/h5-7,10H,3-4H2,1-2H3,(H,9,11).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]propan-2-amine?
N-[2-(1H-imidazol-5-yl)ethyl]propan-2-amine has a molecular weight of 153.23 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 20597092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).