N-ethyl-8-(4-imidazol-1-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine

C16H28N4 — CID 62738316

IUPACN-ethyl-8-(4-imidazol-1-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2CCCCn1ccnc1
InChIInChI=1S/C16H28N4/c1-2-18-14-11-15-5-6-16(12-14)20(15)9-4-3-8-19-10-7-17-13-19/h7,10,13-16,18H,2-6,8-9,11-12H2,1H3
InChIKeySQZZNPHUYVEOPN-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.27
Rot. Bonds7

About N-ethyl-8-(4-imidazol-1-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-8-(4-imidazol-1-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62738316) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-ethyl-8-(4-imidazol-1-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-8-(4-imidazol-1-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62738316
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-ethyl-8-(4-imidazol-1-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2CCCCn1ccnc1
InChIInChI=1S/C16H28N4/c1-2-18-14-11-15-5-6-16(12-14)20(15)9-4-3-8-19-10-7-17-13-19/h7,10,13-16,18H,2-6,8-9,11-12H2,1H3
InChIKeySQZZNPHUYVEOPN-UHFFFAOYSA-N
XLogP2.27
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-8-(4-imidazol-1-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

N-ethyl-8-(1-imidazol-1-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739342
ethyl 4-[3-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]butanoate
CID 64578760
N-ethyl-2-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 83214118
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
N-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine
CID 65083611
1-nonylimidazole;hydrobromide
CID 175434544
N-(3-imidazol-1-ylpropyl)oxan-4-amine
CID 43608608
N-ethyl-3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine
CID 141424864
1-(13-ethoxytridecyl)imidazole
CID 145255635
1-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine
CID 60664484
sodium;1-butylimidazole;bromide
CID 175480877
N-(3-imidazol-1-ylpropyl)-1-[(1S,3R)-3-methylcyclohexyl]piperidin-4-amine
CID 97228938

Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-(4-imidazol-1-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-8-(4-imidazol-1-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 62738316) is N-ethyl-8-(4-imidazol-1-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-8-(4-imidazol-1-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-8-(4-imidazol-1-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2CCCCn1ccnc1.
What is the InChIKey of N-ethyl-8-(4-imidazol-1-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is SQZZNPHUYVEOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-2-18-14-11-15-5-6-16(12-14)20(15)9-4-3-8-19-10-7-17-13-19/h7,10,13-16,18H,2-6,8-9,11-12H2,1H3.
What are the key properties of N-ethyl-8-(4-imidazol-1-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-8-(4-imidazol-1-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 276.43 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-(4-imidazol-1-ylbutyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62738316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).