N-ethyl-N-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine

C14H24N4 — CID 62138054

IUPACN-ethyl-N-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(c1nccn1CC)C1CC2CCC(C1)N2
InChIInChI=1S/C14H24N4/c1-3-17-8-7-15-14(17)18(4-2)13-9-11-5-6-12(10-13)16-11/h7-8,11-13,16H,3-6,9-10H2,1-2H3
InChIKeyHRNUWHNFEBCQQE-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.01
Rot. Bonds4

About N-ethyl-N-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-N-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62138054) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-ethyl-N-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62138054
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-ethyl-N-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(c1nccn1CC)C1CC2CCC(C1)N2
InChIInChI=1S/C14H24N4/c1-3-17-8-7-15-14(17)18(4-2)13-9-11-5-6-12(10-13)16-11/h7-8,11-13,16H,3-6,9-10H2,1-2H3
InChIKeyHRNUWHNFEBCQQE-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(1-prop-2-enylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 106552136
N-ethyl-N-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62132381
N-(1-butylimidazol-2-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 106552097
N-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-8-azabicyclo[3.2.1]octan-3-amine
CID 106552113
N-(1-propan-2-ylimidazol-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 106552189
N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 66133908
N-propyl-N-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232894
N-cyclopropyl-1-ethyl-N-(piperidin-2-ylmethyl)imidazol-2-amine
CID 106640976
N-[2-(2-methylimidazol-1-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61493402
N-ethyl-N-(5-methoxypyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 114600871
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyrimidine-4-carbonitrile
CID 107552429
N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 66133909

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-N-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 62138054) is N-ethyl-N-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-N-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-N-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine is CCN(c1nccn1CC)C1CC2CCC(C1)N2.
What is the InChIKey of N-ethyl-N-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is HRNUWHNFEBCQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-17-8-7-15-14(17)18(4-2)13-9-11-5-6-12(10-13)16-11/h7-8,11-13,16H,3-6,9-10H2,1-2H3.
What are the key properties of N-ethyl-N-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-N-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-ethylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62138054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).