N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine

C11H21N3 — CID 66118440

IUPACN-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine
SMILESCCCCCNCc1cncn1CC
InChIInChI=1S/C11H21N3/c1-3-5-6-7-12-8-11-9-13-10-14(11)4-2/h9-10,12H,3-8H2,1-2H3
InChIKeyQVHJXVXODHXKJU-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.18
Rot. Bonds7

About N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine

N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine (PubChem CID 66118440) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine
PubChem CID66118440
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine
SMILESCCCCCNCc1cncn1CC
InChIInChI=1S/C11H21N3/c1-3-5-6-7-12-8-11-9-13-10-14(11)4-2/h9-10,12H,3-8H2,1-2H3
InChIKeyQVHJXVXODHXKJU-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
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-[(3-ethylimidazol-4-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115516463
5-[(3-ethylimidazol-4-yl)methylamino]pentanamide
CID 106233413
3-cyclopentyl-N-[(3-ethylimidazol-4-yl)methyl]propan-1-amine
CID 106008076
3-[(3-ethylimidazol-4-yl)methylamino]-N-propylpropanamide
CID 66135289
N-[(3-butylimidazol-4-yl)methyl]ethanamine
CID 66146486
2-cyclohexyl-N-[(3-ethylimidazol-4-yl)methyl]ethanamine
CID 66135055
N'-butan-2-yl-N-[(3-ethylimidazol-4-yl)methyl]-N'-methylethane-1,2-diamine
CID 114132517
N'-methyl-N'-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]butane-1,4-diamine
CID 66131380
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylphenyl)methanamine
CID 66116948
N-[(3-ethylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395446
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 66133237
1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]methanamine
CID 66118854

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine (CID 66118440) is N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine is CCCCCNCc1cncn1CC.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine?
The InChIKey is QVHJXVXODHXKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-5-6-7-12-8-11-9-13-10-14(11)4-2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine?
N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine is sourced from PubChem (CID 66118440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).