N-(2-cyclotridecylcycloheptyl)cyclotridecanamine

C33H63N — CID 156542642

IUPACN-(2-cyclotridecylcycloheptyl)cyclotridecanamine
SMILESC1CCCCCCC(NC2CCCCCC2C2CCCCCCCCCCCC2)CCCCC1
InChIInChI=1S/C33H63N/c1-2-6-10-14-19-25-30(24-18-13-9-5-1)32-28-22-17-23-29-33(32)34-31-26-20-15-11-7-3-4-8-12-16-21-27-31/h30-34H,1-29H2
InChIKeyFXSZHHDDJQDGRA-UHFFFAOYSA-N
MW473.87 g/mol
LogP10.90
Rot. Bonds3

About N-(2-cyclotridecylcycloheptyl)cyclotridecanamine

N-(2-cyclotridecylcycloheptyl)cyclotridecanamine (PubChem CID 156542642) has the molecular formula C33H63N and a molecular weight of 473.87 g/mol. Its IUPAC name is N-(2-cyclotridecylcycloheptyl)cyclotridecanamine.

Molecular Properties

Compound NameN-(2-cyclotridecylcycloheptyl)cyclotridecanamine
PubChem CID156542642
Molecular FormulaC33H63N
Molecular Weight473.87 g/mol
Exact Mass473.50
IUPAC NameN-(2-cyclotridecylcycloheptyl)cyclotridecanamine
SMILESC1CCCCCCC(NC2CCCCCC2C2CCCCCCCCCCCC2)CCCCC1
InChIInChI=1S/C33H63N/c1-2-6-10-14-19-25-30(24-18-13-9-5-1)32-28-22-17-23-29-33(32)34-31-26-20-15-11-7-3-4-8-12-16-21-27-31/h30-34H,1-29H2
InChIKeyFXSZHHDDJQDGRA-UHFFFAOYSA-N
XLogP10.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.87
LogP ≤ 510.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclotridecylcycloheptyl)cyclotridecanamine?
The IUPAC name of N-(2-cyclotridecylcycloheptyl)cyclotridecanamine (CID 156542642) is N-(2-cyclotridecylcycloheptyl)cyclotridecanamine.
What is the SMILES notation for N-(2-cyclotridecylcycloheptyl)cyclotridecanamine?
The canonical SMILES for N-(2-cyclotridecylcycloheptyl)cyclotridecanamine is C1CCCCCCC(NC2CCCCCC2C2CCCCCCCCCCCC2)CCCCC1.
What is the InChIKey of N-(2-cyclotridecylcycloheptyl)cyclotridecanamine?
The InChIKey is FXSZHHDDJQDGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H63N/c1-2-6-10-14-19-25-30(24-18-13-9-5-1)32-28-22-17-23-29-33(32)34-31-26-20-15-11-7-3-4-8-12-16-21-27-31/h30-34H,1-29H2.
What are the key properties of N-(2-cyclotridecylcycloheptyl)cyclotridecanamine?
N-(2-cyclotridecylcycloheptyl)cyclotridecanamine has a molecular weight of 473.87 g/mol, XLogP of 10.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclotridecylcycloheptyl)cyclotridecanamine is sourced from PubChem (CID 156542642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).