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

C14H24N4 — CID 105364522

IUPACN-(4-imidazol-1-ylbutyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESc1cn(CCCCNC2CCN3CCC2C3)cn1
InChIInChI=1S/C14H24N4/c1(2-7-18-10-6-15-12-18)5-16-14-4-9-17-8-3-13(14)11-17/h6,10,12-14,16H,1-5,7-9,11H2
InChIKeyQDPHISWKUCNRFB-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.35
Rot. Bonds6

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

N-(4-imidazol-1-ylbutyl)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364522) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(4-imidazol-1-ylbutyl)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-(4-imidazol-1-ylbutyl)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364522
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-(4-imidazol-1-ylbutyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESc1cn(CCCCNC2CCN3CCC2C3)cn1
InChIInChI=1S/C14H24N4/c1(2-7-18-10-6-15-12-18)5-16-14-4-9-17-8-3-13(14)11-17/h6,10,12-14,16H,1-5,7-9,11H2
InChIKeyQDPHISWKUCNRFB-UHFFFAOYSA-N
XLogP1.35
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-1,3-dimethylpiperidin-4-amine
CID 115704910
N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 61071274
N-(3-imidazol-1-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43392168
N-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine
CID 65083611
N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 61494543
N-(3-imidazol-1-ylpropyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046461
4-imidazol-1-ylbutylhydrazine
CID 86114724
N-(4-imidazol-1-ylbutyl)-1-propan-2-ylazepan-4-amine
CID 65073591
N-(3-imidazol-1-ylpropyl)oxan-4-amine
CID 43608608
cis-(1S,2R)-2-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)cyclopentan-1-amine
CID 124681069
cis-(1R,2S)-N-(3-imidazol-1-ylpropyl)-2-pyrazol-1-ylcyclohexan-1-amine
CID 99622517
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylbutyl)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-(4-imidazol-1-ylbutyl)-1-azabicyclo[3.2.1]octan-4-amine (CID 105364522) is N-(4-imidazol-1-ylbutyl)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-(4-imidazol-1-ylbutyl)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-(4-imidazol-1-ylbutyl)-1-azabicyclo[3.2.1]octan-4-amine is c1cn(CCCCNC2CCN3CCC2C3)cn1.
What is the InChIKey of N-(4-imidazol-1-ylbutyl)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is QDPHISWKUCNRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1(2-7-18-10-6-15-12-18)5-16-14-4-9-17-8-3-13(14)11-17/h6,10,12-14,16H,1-5,7-9,11H2.
What are the key properties of N-(4-imidazol-1-ylbutyl)-1-azabicyclo[3.2.1]octan-4-amine?
N-(4-imidazol-1-ylbutyl)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 248.37 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylbutyl)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).