N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine

C11H21N3 — CID 61492853

IUPACN-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
SMILESCCCCCNCCn1ccnc1C
InChIInChI=1S/C11H21N3/c1-3-4-5-6-12-7-9-14-10-8-13-11(14)2/h8,10,12H,3-7,9H2,1-2H3
InChIKeyXYOAMMOUXOWRFH-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.97
Rot. Bonds7

About N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine

N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine (PubChem CID 61492853) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
PubChem CID61492853
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
SMILESCCCCCNCCn1ccnc1C
InChIInChI=1S/C11H21N3/c1-3-4-5-6-12-7-9-14-10-8-13-11(14)2/h8,10,12H,3-7,9H2,1-2H3
InChIKeyXYOAMMOUXOWRFH-UHFFFAOYSA-N
XLogP1.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 107319925
6-iodo-N-[2-(2-methylimidazol-1-yl)ethyl]hexan-1-amine
CID 107844722
5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
CID 107317411
N-[2-(2-methylimidazol-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine
CID 114136882
2-methyl-1-octylimidazole;hydrate
CID 174602652
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
2-methyl-5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
CID 106160254
2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 61493565
fluoroform;1-hexyl-2-methylimidazole
CID 174860235
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
N-[2-(2-methylimidazol-1-yl)ethyl]octan-4-amine
CID 103780084
ethane;N'-[3-(2-methylimidazol-1-yl)propyl]methanediamine
CID 155737124

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine?
The IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine (CID 61492853) is N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine.
What is the SMILES notation for N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine?
The canonical SMILES for N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine is CCCCCNCCn1ccnc1C.
What is the InChIKey of N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine?
The InChIKey is XYOAMMOUXOWRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-4-5-6-12-7-9-14-10-8-13-11(14)2/h8,10,12H,3-7,9H2,1-2H3.
What are the key properties of N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine?
N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 61492853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).