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

C9H17N3 — CID 65232249

IUPACN-[2-(1H-imidazol-5-yl)ethyl]butan-2-amine
SMILESCCC(C)NCCc1cnc[nH]1
InChIInChI=1S/C9H17N3/c1-3-8(2)11-5-4-9-6-10-7-12-9/h6-8,11H,3-5H2,1-2H3,(H,10,12)
InChIKeyDGPWUAQBMVRSGM-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.34
Rot. Bonds5

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

N-[2-(1H-imidazol-5-yl)ethyl]butan-2-amine (PubChem CID 65232249) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]butan-2-amine
PubChem CID65232249
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]butan-2-amine
SMILESCCC(C)NCCc1cnc[nH]1
InChIInChI=1S/C9H17N3/c1-3-8(2)11-5-4-9-6-10-7-12-9/h6-8,11H,3-5H2,1-2H3,(H,10,12)
InChIKeyDGPWUAQBMVRSGM-UHFFFAOYSA-N
XLogP1.34
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]octan-2-amine
CID 65232388
N-[2-(1H-imidazol-5-yl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79539364
1-(2,3-difluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 114058190
1-(4-butylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65230971
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 65231921
1-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65232163
N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 65230680
1-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine
CID 65230792
N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 65230871
1-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine
CID 65230515
1-(2,5-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65230546
N'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine
CID 102056012

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]butan-2-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]butan-2-amine (CID 65232249) is N-[2-(1H-imidazol-5-yl)ethyl]butan-2-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]butan-2-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]butan-2-amine is CCC(C)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]butan-2-amine?
The InChIKey is DGPWUAQBMVRSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-8(2)11-5-4-9-6-10-7-12-9/h6-8,11H,3-5H2,1-2H3,(H,10,12).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]butan-2-amine?
N-[2-(1H-imidazol-5-yl)ethyl]butan-2-amine has a molecular weight of 167.26 g/mol, XLogP of 1.34, 5 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]butan-2-amine is sourced from PubChem (CID 65232249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).