N-ethyl-N-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-ylmethyl)ethanamine

C16H23N3 — CID 82336716

IUPACN-ethyl-N-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-ylmethyl)ethanamine
SMILESCCN(CC)Cc1nc2cc3c(cc2[nH]1)CCCC3
InChIInChI=1S/C16H23N3/c1-3-19(4-2)11-16-17-14-9-12-7-5-6-8-13(12)10-15(14)18-16/h9-10H,3-8,11H2,1-2H3,(H,17,18)
InChIKeyIUYDOQCRZSMRBG-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.28
Rot. Bonds4

About N-ethyl-N-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-ylmethyl)ethanamine

N-ethyl-N-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-ylmethyl)ethanamine (PubChem CID 82336716) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-ethyl-N-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-ylmethyl)ethanamine
PubChem CID82336716
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-ethyl-N-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-ylmethyl)ethanamine
SMILESCCN(CC)Cc1nc2cc3c(cc2[nH]1)CCCC3
InChIInChI=1S/C16H23N3/c1-3-19(4-2)11-16-17-14-9-12-7-5-6-8-13(12)10-15(14)18-16/h9-10H,3-8,11H2,1-2H3,(H,17,18)
InChIKeyIUYDOQCRZSMRBG-UHFFFAOYSA-N
XLogP3.28
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-ylmethyl)ethanamine?
The IUPAC name of N-ethyl-N-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-ylmethyl)ethanamine (CID 82336716) is N-ethyl-N-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-ylmethyl)ethanamine.
What is the SMILES notation for N-ethyl-N-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-ylmethyl)ethanamine?
The canonical SMILES for N-ethyl-N-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-ylmethyl)ethanamine is CCN(CC)Cc1nc2cc3c(cc2[nH]1)CCCC3.
What is the InChIKey of N-ethyl-N-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-ylmethyl)ethanamine?
The InChIKey is IUYDOQCRZSMRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-19(4-2)11-16-17-14-9-12-7-5-6-8-13(12)10-15(14)18-16/h9-10H,3-8,11H2,1-2H3,(H,17,18).
What are the key properties of N-ethyl-N-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-ylmethyl)ethanamine?
N-ethyl-N-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-ylmethyl)ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 82336716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).