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

C15H26N4 — CID 66133909

IUPACN-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(Cc1cncn1CC)C1CC2CCC(C1)N2
InChIInChI=1S/C15H26N4/c1-3-18(10-15-9-16-11-19(15)4-2)14-7-12-5-6-13(8-14)17-12/h9,11-14,17H,3-8,10H2,1-2H3
InChIKeyWLDAKLHNBJYCQE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.01
Rot. Bonds5

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

N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 66133909) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID66133909
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(Cc1cncn1CC)C1CC2CCC(C1)N2
InChIInChI=1S/C15H26N4/c1-3-18(10-15-9-16-11-19(15)4-2)14-7-12-5-6-13(8-14)17-12/h9,11-14,17H,3-8,10H2,1-2H3
InChIKeyWLDAKLHNBJYCQE-UHFFFAOYSA-N
XLogP2.01
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 66133908
N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-3-amine
CID 66135560
N-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715367
N-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621751
N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231293
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 79770135
4-N-ethyl-4-N-[(3-propylimidazol-4-yl)methyl]cyclohexane-1,4-diamine
CID 79115486
1-(3-ethylimidazol-4-yl)-N,N-dimethylmethanamine
CID 117192905
N-ethyl-N-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63208507
N-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 115990249
2-[(3-ethylimidazol-4-yl)methyl-methylamino]cyclohexan-1-ol
CID 102636558
N-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61231920

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 66133909) is N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is CCN(Cc1cncn1CC)C1CC2CCC(C1)N2.
What is the InChIKey of N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is WLDAKLHNBJYCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-18(10-15-9-16-11-19(15)4-2)14-7-12-5-6-13(8-14)17-12/h9,11-14,17H,3-8,10H2,1-2H3.
What are the key properties of N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 66133909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).