N-(2-cycloundecylethyl)cyclodecapentaenamine

C23H35N — CID 155097457

IUPACN-(2-cycloundecylethyl)cyclodecapentaenamine
SMILESc1ccccc(NCCC2CCCCCCCCCC2)cccc1
InChIInChI=1S/C23H35N/c1-2-5-9-13-17-22(16-12-8-4-1)20-21-24-23-18-14-10-6-3-7-11-15-19-23/h3,6-7,10-11,14-15,18-19,22,24H,1-2,4-5,8-9,12-13,16-17,20-21H2/b6-3-,7-3-,10-6-,11-7+,14-10+,15-11+,18-14+,19-15-,23-18+,23-19+
InChIKeyFAUORVRRMZMVAY-FDHVZTGKSA-N
MW325.54 g/mol
LogP7.14
Rot. Bonds4

About N-(2-cycloundecylethyl)cyclodecapentaenamine

N-(2-cycloundecylethyl)cyclodecapentaenamine (PubChem CID 155097457) has the molecular formula C23H35N and a molecular weight of 325.54 g/mol. Its IUPAC name is N-(2-cycloundecylethyl)cyclodecapentaenamine.

Molecular Properties

Compound NameN-(2-cycloundecylethyl)cyclodecapentaenamine
PubChem CID155097457
Molecular FormulaC23H35N
Molecular Weight325.54 g/mol
Exact Mass325.28
IUPAC NameN-(2-cycloundecylethyl)cyclodecapentaenamine
SMILESc1ccccc(NCCC2CCCCCCCCCC2)cccc1
InChIInChI=1S/C23H35N/c1-2-5-9-13-17-22(16-12-8-4-1)20-21-24-23-18-14-10-6-3-7-11-15-19-23/h3,6-7,10-11,14-15,18-19,22,24H,1-2,4-5,8-9,12-13,16-17,20-21H2/b6-3-,7-3-,10-6-,11-7+,14-10+,15-11+,18-14+,19-15-,23-18+,23-19+
InChIKeyFAUORVRRMZMVAY-FDHVZTGKSA-N
XLogP7.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 57.14
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-cycloundecylethyl)cyclodecapentaenamine?
The IUPAC name of N-(2-cycloundecylethyl)cyclodecapentaenamine (CID 155097457) is N-(2-cycloundecylethyl)cyclodecapentaenamine.
What is the SMILES notation for N-(2-cycloundecylethyl)cyclodecapentaenamine?
The canonical SMILES for N-(2-cycloundecylethyl)cyclodecapentaenamine is c1ccccc(NCCC2CCCCCCCCCC2)cccc1.
What is the InChIKey of N-(2-cycloundecylethyl)cyclodecapentaenamine?
The InChIKey is FAUORVRRMZMVAY-FDHVZTGKSA-N. The full InChI is InChI=1S/C23H35N/c1-2-5-9-13-17-22(16-12-8-4-1)20-21-24-23-18-14-10-6-3-7-11-15-19-23/h3,6-7,10-11,14-15,18-19,22,24H,1-2,4-5,8-9,12-13,16-17,20-21H2/b6-3-,7-3-,10-6-,11-7+,14-10+,15-11+,18-14+,19-15-,23-18+,23-19+.
What are the key properties of N-(2-cycloundecylethyl)cyclodecapentaenamine?
N-(2-cycloundecylethyl)cyclodecapentaenamine has a molecular weight of 325.54 g/mol, XLogP of 7.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cycloundecylethyl)cyclodecapentaenamine is sourced from PubChem (CID 155097457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).