N-(2-cycloundecylcyclopentyl)cycloundecanamine

C27H51N — CID 146492936

IUPACN-(2-cycloundecylcyclopentyl)cycloundecanamine
SMILESC1CCCCCC(NC2CCCC2C2CCCCCCCCCC2)CCCC1
InChIInChI=1S/C27H51N/c1-2-6-10-14-19-24(18-13-9-5-1)26-22-17-23-27(26)28-25-20-15-11-7-3-4-8-12-16-21-25/h24-28H,1-23H2
InChIKeyJMHPRXMFKDPPIA-UHFFFAOYSA-N
MW389.71 g/mol
LogP8.56
Rot. Bonds3

About N-(2-cycloundecylcyclopentyl)cycloundecanamine

N-(2-cycloundecylcyclopentyl)cycloundecanamine (PubChem CID 146492936) has the molecular formula C27H51N and a molecular weight of 389.71 g/mol. Its IUPAC name is N-(2-cycloundecylcyclopentyl)cycloundecanamine.

Molecular Properties

Compound NameN-(2-cycloundecylcyclopentyl)cycloundecanamine
PubChem CID146492936
Molecular FormulaC27H51N
Molecular Weight389.71 g/mol
Exact Mass389.40
IUPAC NameN-(2-cycloundecylcyclopentyl)cycloundecanamine
SMILESC1CCCCCC(NC2CCCC2C2CCCCCCCCCC2)CCCC1
InChIInChI=1S/C27H51N/c1-2-6-10-14-19-24(18-13-9-5-1)26-22-17-23-27(26)28-25-20-15-11-7-3-4-8-12-16-21-25/h24-28H,1-23H2
InChIKeyJMHPRXMFKDPPIA-UHFFFAOYSA-N
XLogP8.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.71
LogP ≤ 58.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-cycloundecylcyclopentyl)cycloundecanamine?
The IUPAC name of N-(2-cycloundecylcyclopentyl)cycloundecanamine (CID 146492936) is N-(2-cycloundecylcyclopentyl)cycloundecanamine.
What is the SMILES notation for N-(2-cycloundecylcyclopentyl)cycloundecanamine?
The canonical SMILES for N-(2-cycloundecylcyclopentyl)cycloundecanamine is C1CCCCCC(NC2CCCC2C2CCCCCCCCCC2)CCCC1.
What is the InChIKey of N-(2-cycloundecylcyclopentyl)cycloundecanamine?
The InChIKey is JMHPRXMFKDPPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H51N/c1-2-6-10-14-19-24(18-13-9-5-1)26-22-17-23-27(26)28-25-20-15-11-7-3-4-8-12-16-21-25/h24-28H,1-23H2.
What are the key properties of N-(2-cycloundecylcyclopentyl)cycloundecanamine?
N-(2-cycloundecylcyclopentyl)cycloundecanamine has a molecular weight of 389.71 g/mol, XLogP of 8.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cycloundecylcyclopentyl)cycloundecanamine is sourced from PubChem (CID 146492936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).