N-(2-cyclodecylethyl)cyclodecapentaenamine

C22H33N — CID 155323771

IUPACN-(2-cyclodecylethyl)cyclodecapentaenamine
SMILESc1ccccc(NCCC2CCCCCCCCC2)cccc1
InChIInChI=1S/C22H33N/c1-3-7-11-15-21(16-12-8-4-1)19-20-23-22-17-13-9-5-2-6-10-14-18-22/h2,5-6,9-10,13-14,17-18,21,23H,1,3-4,7-8,11-12,15-16,19-20H2/b5-2-,6-2-,9-5-,10-6+,13-9+,14-10+,17-13+,18-14-,22-17+,22-18+
InChIKeyWZDSHPQVBJHOHY-RXUMAWEMSA-N
MW311.51 g/mol
LogP6.75
Rot. Bonds4

About N-(2-cyclodecylethyl)cyclodecapentaenamine

N-(2-cyclodecylethyl)cyclodecapentaenamine (PubChem CID 155323771) has the molecular formula C22H33N and a molecular weight of 311.51 g/mol. Its IUPAC name is N-(2-cyclodecylethyl)cyclodecapentaenamine.

Molecular Properties

Compound NameN-(2-cyclodecylethyl)cyclodecapentaenamine
PubChem CID155323771
Molecular FormulaC22H33N
Molecular Weight311.51 g/mol
Exact Mass311.26
IUPAC NameN-(2-cyclodecylethyl)cyclodecapentaenamine
SMILESc1ccccc(NCCC2CCCCCCCCC2)cccc1
InChIInChI=1S/C22H33N/c1-3-7-11-15-21(16-12-8-4-1)19-20-23-22-17-13-9-5-2-6-10-14-18-22/h2,5-6,9-10,13-14,17-18,21,23H,1,3-4,7-8,11-12,15-16,19-20H2/b5-2-,6-2-,9-5-,10-6+,13-9+,14-10+,17-13+,18-14-,22-17+,22-18+
InChIKeyWZDSHPQVBJHOHY-RXUMAWEMSA-N
XLogP6.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.51
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclodecylethyl)cyclodecapentaenamine?
The IUPAC name of N-(2-cyclodecylethyl)cyclodecapentaenamine (CID 155323771) is N-(2-cyclodecylethyl)cyclodecapentaenamine.
What is the SMILES notation for N-(2-cyclodecylethyl)cyclodecapentaenamine?
The canonical SMILES for N-(2-cyclodecylethyl)cyclodecapentaenamine is c1ccccc(NCCC2CCCCCCCCC2)cccc1.
What is the InChIKey of N-(2-cyclodecylethyl)cyclodecapentaenamine?
The InChIKey is WZDSHPQVBJHOHY-RXUMAWEMSA-N. The full InChI is InChI=1S/C22H33N/c1-3-7-11-15-21(16-12-8-4-1)19-20-23-22-17-13-9-5-2-6-10-14-18-22/h2,5-6,9-10,13-14,17-18,21,23H,1,3-4,7-8,11-12,15-16,19-20H2/b5-2-,6-2-,9-5-,10-6+,13-9+,14-10+,17-13+,18-14-,22-17+,22-18+.
What are the key properties of N-(2-cyclodecylethyl)cyclodecapentaenamine?
N-(2-cyclodecylethyl)cyclodecapentaenamine has a molecular weight of 311.51 g/mol, XLogP of 6.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclodecylethyl)cyclodecapentaenamine is sourced from PubChem (CID 155323771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).