N-(2-cyclononylcyclopentyl)cycloundecanamine

C25H47N — CID 167283345

IUPACN-(2-cyclononylcyclopentyl)cycloundecanamine
SMILESC1CCCCCC(NC2CCCC2C2CCCCCCCC2)CCCC1
InChIInChI=1S/C25H47N/c1-2-4-10-14-19-23(18-13-9-3-1)26-25-21-15-20-24(25)22-16-11-7-5-6-8-12-17-22/h22-26H,1-21H2
InChIKeyLDABOFXOKKEBPL-UHFFFAOYSA-N
MW361.66 g/mol
LogP7.78
Rot. Bonds3

About N-(2-cyclononylcyclopentyl)cycloundecanamine

N-(2-cyclononylcyclopentyl)cycloundecanamine (PubChem CID 167283345) has the molecular formula C25H47N and a molecular weight of 361.66 g/mol. Its IUPAC name is N-(2-cyclononylcyclopentyl)cycloundecanamine.

Molecular Properties

Compound NameN-(2-cyclononylcyclopentyl)cycloundecanamine
PubChem CID167283345
Molecular FormulaC25H47N
Molecular Weight361.66 g/mol
Exact Mass361.37
IUPAC NameN-(2-cyclononylcyclopentyl)cycloundecanamine
SMILESC1CCCCCC(NC2CCCC2C2CCCCCCCC2)CCCC1
InChIInChI=1S/C25H47N/c1-2-4-10-14-19-23(18-13-9-3-1)26-25-21-15-20-24(25)22-16-11-7-5-6-8-12-17-22/h22-26H,1-21H2
InChIKeyLDABOFXOKKEBPL-UHFFFAOYSA-N
XLogP7.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.66
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-cycloundecylcyclopentyl)cycloundecanamine
CID 146492936
N-(2-cyclononylcyclopentyl)cyclododecanamine
CID 146530332
N-(2-cyclotridecylcycloheptyl)cyclotridecanamine
CID 156542642
N-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine
CID 83906411
2-cyclohexyl-N-(3-methylcyclohexyl)cyclohexan-1-amine
CID 43432566
N-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylamino)cyclohexyl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-amine
CID 71129084
N-(2-chlorocyclopentyl)cycloheptanamine
CID 127002051
2-(cycloheptylamino)cyclopentan-1-ol
CID 60713716
N-[(1R,2R)-2-fluorocyclopentyl]cyclohexanamine
CID 126847823
N-(2-methoxycyclopentyl)cyclododecanamine
CID 63477774
N'-(2-cyclohexylcyclohexyl)ethane-1,2-diamine
CID 60889120
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclononylcyclopentyl)cycloundecanamine?
The IUPAC name of N-(2-cyclononylcyclopentyl)cycloundecanamine (CID 167283345) is N-(2-cyclononylcyclopentyl)cycloundecanamine.
What is the SMILES notation for N-(2-cyclononylcyclopentyl)cycloundecanamine?
The canonical SMILES for N-(2-cyclononylcyclopentyl)cycloundecanamine is C1CCCCCC(NC2CCCC2C2CCCCCCCC2)CCCC1.
What is the InChIKey of N-(2-cyclononylcyclopentyl)cycloundecanamine?
The InChIKey is LDABOFXOKKEBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47N/c1-2-4-10-14-19-23(18-13-9-3-1)26-25-21-15-20-24(25)22-16-11-7-5-6-8-12-17-22/h22-26H,1-21H2.
What are the key properties of N-(2-cyclononylcyclopentyl)cycloundecanamine?
N-(2-cyclononylcyclopentyl)cycloundecanamine has a molecular weight of 361.66 g/mol, XLogP of 7.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclononylcyclopentyl)cycloundecanamine is sourced from PubChem (CID 167283345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).