N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

C14H24N4 — CID 66133908

IUPACN-[(3-ethylimidazol-4-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCn1cncc1CN(C)C1CC2CCC(C1)N2
InChIInChI=1S/C14H24N4/c1-3-18-10-15-8-14(18)9-17(2)13-6-11-4-5-12(7-13)16-11/h8,10-13,16H,3-7,9H2,1-2H3
InChIKeySVVDQDQAQBOWKP-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.62
Rot. Bonds4

About N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 66133908) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID66133908
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCn1cncc1CN(C)C1CC2CCC(C1)N2
InChIInChI=1S/C14H24N4/c1-3-18-10-15-8-14(18)9-17(2)13-6-11-4-5-12(7-13)16-11/h8,10-13,16H,3-7,9H2,1-2H3
InChIKeySVVDQDQAQBOWKP-UHFFFAOYSA-N
XLogP1.62
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 66133908) is N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CCn1cncc1CN(C)C1CC2CCC(C1)N2.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is SVVDQDQAQBOWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-18-10-15-8-14(18)9-17(2)13-6-11-4-5-12(7-13)16-11/h8,10-13,16H,3-7,9H2,1-2H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 248.37 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 66133908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).