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

C11H21N3 — CID 61214559

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
SMILESCCCCCNCCc1nccn1C
InChIInChI=1S/C11H21N3/c1-3-4-5-7-12-8-6-11-13-9-10-14(11)2/h9-10,12H,3-8H2,1-2H3
InChIKeyDBKRYMCISIISDQ-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.74
Rot. Bonds7

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

N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine (PubChem CID 61214559) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
PubChem CID61214559
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
SMILESCCCCCNCCc1nccn1C
InChIInChI=1S/C11H21N3/c1-3-4-5-7-12-8-6-11-13-9-10-14(11)2/h9-10,12H,3-8H2,1-2H3
InChIKeyDBKRYMCISIISDQ-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
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

N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 64503736
1-methyl-2-nonylimidazole
CID 67393993
1-methyl-2-pentadecylimidazole
CID 68899434
N-[2-(1-methylimidazol-2-yl)ethyl]-4-phenylbutan-1-amine
CID 114333307
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentylethane-1,2-diamine
CID 63025530
alumane;2-hexyl-1-methylimidazole;tetrahydrochloride
CID 174887731
3,3,3-trifluoro-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 64554814
N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 107445440
azane;1-methyl-2-propylimidazole
CID 174525892
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1-N-pentylpropane-1,2-diamine
CID 55144619
2-butyl-1-methylimidazole;fluoroform
CID 162050255

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine (CID 61214559) is N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine is CCCCCNCCc1nccn1C.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine?
The InChIKey is DBKRYMCISIISDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-4-5-7-12-8-6-11-13-9-10-14(11)2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine?
N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 61214559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).