N-(2-cyclotridecylethyl)cyclodecapentaenamine

C25H39N — CID 167244550

IUPACN-(2-cyclotridecylethyl)cyclodecapentaenamine
SMILESc1ccccc(NCCC2CCCCCCCCCCCC2)cccc1
InChIInChI=1S/C25H39N/c1-2-4-7-11-15-19-24(18-14-10-6-3-1)22-23-26-25-20-16-12-8-5-9-13-17-21-25/h5,8-9,12-13,16-17,20-21,24,26H,1-4,6-7,10-11,14-15,18-19,22-23H2/b8-5-,9-5-,12-8-,13-9+,16-12+,17-13+,20-16+,21-17-,25-20+,25-21+
InChIKeyMCMQTVXCQBFTME-KTRBHVKPSA-N
MW353.59 g/mol
LogP7.92
Rot. Bonds4

About N-(2-cyclotridecylethyl)cyclodecapentaenamine

N-(2-cyclotridecylethyl)cyclodecapentaenamine (PubChem CID 167244550) has the molecular formula C25H39N and a molecular weight of 353.59 g/mol. Its IUPAC name is N-(2-cyclotridecylethyl)cyclodecapentaenamine.

Molecular Properties

Compound NameN-(2-cyclotridecylethyl)cyclodecapentaenamine
PubChem CID167244550
Molecular FormulaC25H39N
Molecular Weight353.59 g/mol
Exact Mass353.31
IUPAC NameN-(2-cyclotridecylethyl)cyclodecapentaenamine
SMILESc1ccccc(NCCC2CCCCCCCCCCCC2)cccc1
InChIInChI=1S/C25H39N/c1-2-4-7-11-15-19-24(18-14-10-6-3-1)22-23-26-25-20-16-12-8-5-9-13-17-21-25/h5,8-9,12-13,16-17,20-21,24,26H,1-4,6-7,10-11,14-15,18-19,22-23H2/b8-5-,9-5-,12-8-,13-9+,16-12+,17-13+,20-16+,21-17-,25-20+,25-21+
InChIKeyMCMQTVXCQBFTME-KTRBHVKPSA-N
XLogP7.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.59
LogP ≤ 57.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclotridecylethyl)cyclodecapentaenamine?
The IUPAC name of N-(2-cyclotridecylethyl)cyclodecapentaenamine (CID 167244550) is N-(2-cyclotridecylethyl)cyclodecapentaenamine.
What is the SMILES notation for N-(2-cyclotridecylethyl)cyclodecapentaenamine?
The canonical SMILES for N-(2-cyclotridecylethyl)cyclodecapentaenamine is c1ccccc(NCCC2CCCCCCCCCCCC2)cccc1.
What is the InChIKey of N-(2-cyclotridecylethyl)cyclodecapentaenamine?
The InChIKey is MCMQTVXCQBFTME-KTRBHVKPSA-N. The full InChI is InChI=1S/C25H39N/c1-2-4-7-11-15-19-24(18-14-10-6-3-1)22-23-26-25-20-16-12-8-5-9-13-17-21-25/h5,8-9,12-13,16-17,20-21,24,26H,1-4,6-7,10-11,14-15,18-19,22-23H2/b8-5-,9-5-,12-8-,13-9+,16-12+,17-13+,20-16+,21-17-,25-20+,25-21+.
What are the key properties of N-(2-cyclotridecylethyl)cyclodecapentaenamine?
N-(2-cyclotridecylethyl)cyclodecapentaenamine has a molecular weight of 353.59 g/mol, XLogP of 7.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclotridecylethyl)cyclodecapentaenamine is sourced from PubChem (CID 167244550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).