N-(1H-benzimidazol-2-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

C17H24N4 — CID 61231357

IUPACN-(1H-benzimidazol-2-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(Cc1nc2ccccc2[nH]1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H24N4/c1-2-21(14-9-12-7-8-13(10-14)18-12)11-17-19-15-5-3-4-6-16(15)20-17/h3-6,12-14,18H,2,7-11H2,1H3,(H,19,20)
InChIKeyWOBNLLYAIJDRTO-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.67
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

N-(1H-benzimidazol-2-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61231357) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61231357
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(Cc1nc2ccccc2[nH]1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H24N4/c1-2-21(14-9-12-7-8-13(10-14)18-12)11-17-19-15-5-3-4-6-16(15)20-17/h3-6,12-14,18H,2,7-11H2,1H3,(H,19,20)
InChIKeyWOBNLLYAIJDRTO-UHFFFAOYSA-N
XLogP2.67
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-N-propylpiperidin-3-amine
CID 63637511
4-N-(1H-benzimidazol-2-ylmethyl)-4-N-methylcyclohexane-1,4-diamine
CID 79121832
2-[1H-benzimidazol-2-ylmethyl(methyl)amino]cyclohexan-1-ol
CID 102636442
N-(1H-benzimidazol-2-ylmethyl)-N-methylazepan-4-amine
CID 107173191
N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine
CID 82335815
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
N-ethyl-N-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61233061
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylquinazolin-2-amine
CID 114789417
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1H-benzimidazole
CID 115314474
N-ethyl-N-[(3-ethylimidazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 66133909
N-ethyl-N-(2-phenylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 115328464
4-N-(1H-benzimidazol-2-ylmethyl)-1-N,1-N-diethyl-4-N-methylpiperidine-1,4-dicarboxamide
CID 55718643

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61231357) is N-(1H-benzimidazol-2-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is CCN(Cc1nc2ccccc2[nH]1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is WOBNLLYAIJDRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-2-21(14-9-12-7-8-13(10-14)18-12)11-17-19-15-5-3-4-6-16(15)20-17/h3-6,12-14,18H,2,7-11H2,1H3,(H,19,20).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(1H-benzimidazol-2-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 284.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61231357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).