N-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine

C24H23N — CID 70547142

IUPACN-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine
SMILESCC(NCc1ccccc1)C12CC(c3ccccc31)c1ccccc12
InChIInChI=1S/C24H23N/c1-17(25-16-18-9-3-2-4-10-18)24-15-21(19-11-5-7-13-22(19)24)20-12-6-8-14-23(20)24/h2-14,17,21,25H,15-16H2,1H3
InChIKeyDUNSIXCEAZLRQE-UHFFFAOYSA-N
MW325.46 g/mol
LogP5.00
Rot. Bonds4

About N-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine

N-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine (PubChem CID 70547142) has the molecular formula C24H23N and a molecular weight of 325.46 g/mol. Its IUPAC name is N-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine.

Molecular Properties

Compound NameN-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine
PubChem CID70547142
Molecular FormulaC24H23N
Molecular Weight325.46 g/mol
Exact Mass325.18
IUPAC NameN-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine
SMILESCC(NCc1ccccc1)C12CC(c3ccccc31)c1ccccc12
InChIInChI=1S/C24H23N/c1-17(25-16-18-9-3-2-4-10-18)24-15-21(19-11-5-7-13-22(19)24)20-12-6-8-14-23(20)24/h2-14,17,21,25H,15-16H2,1H3
InChIKeyDUNSIXCEAZLRQE-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine
CID 70550474
N-benzyl-1-(2,3-dimethyloxiran-2-yl)ethanamine
CID 23268450
(2R)-2-(benzylamino)propanenitrile
CID 28702462
1-(1-adamantyl)-2-(benzylamino)propan-1-ol
CID 3267642
(1R)-N-benzyl-1-[(3R,5S)-3,5-dimethylcyclohexyl]ethanamine
CID 125423706
N-benzyl-1-silylethanamine
CID 173405128
N-benzyl-1-isocyanoethanamine
CID 21050847
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
N-benzyl-2-deuterio-3-methylbutan-2-amine
CID 155272409
N-benzyl-1-cyclopentylpropan-2-amine
CID 71379591
(2R)-2-(benzylamino)propanoyl chloride
CID 166639498
1-(1-adamantyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 3148505

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine?
The IUPAC name of N-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine (CID 70547142) is N-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine.
What is the SMILES notation for N-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine?
The canonical SMILES for N-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine is CC(NCc1ccccc1)C12CC(c3ccccc31)c1ccccc12.
What is the InChIKey of N-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine?
The InChIKey is DUNSIXCEAZLRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N/c1-17(25-16-18-9-3-2-4-10-18)24-15-21(19-11-5-7-13-22(19)24)20-12-6-8-14-23(20)24/h2-14,17,21,25H,15-16H2,1H3.
What are the key properties of N-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine?
N-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine has a molecular weight of 325.46 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine is sourced from PubChem (CID 70547142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).