2-cyclononyl-N-(cyclononylmethyl)ethanamine

C21H41N — CID 91347612

IUPAC2-cyclononyl-N-(cyclononylmethyl)ethanamine
SMILESC1CCCCC(CCNCC2CCCCCCCC2)CCC1
InChIInChI=1S/C21H41N/c1-2-6-10-14-20(13-9-5-1)17-18-22-19-21-15-11-7-3-4-8-12-16-21/h20-22H,1-19H2
InChIKeyWBUJKDOYFVLJOP-UHFFFAOYSA-N
MW307.57 g/mol
LogP6.47
Rot. Bonds5

About 2-cyclononyl-N-(cyclononylmethyl)ethanamine

2-cyclononyl-N-(cyclononylmethyl)ethanamine (PubChem CID 91347612) has the molecular formula C21H41N and a molecular weight of 307.57 g/mol. Its IUPAC name is 2-cyclononyl-N-(cyclononylmethyl)ethanamine.

Molecular Properties

Compound Name2-cyclononyl-N-(cyclononylmethyl)ethanamine
PubChem CID91347612
Molecular FormulaC21H41N
Molecular Weight307.57 g/mol
Exact Mass307.32
IUPAC Name2-cyclononyl-N-(cyclononylmethyl)ethanamine
SMILESC1CCCCC(CCNCC2CCCCCCCC2)CCC1
InChIInChI=1S/C21H41N/c1-2-6-10-14-20(13-9-5-1)17-18-22-19-21-15-11-7-3-4-8-12-16-21/h20-22H,1-19H2
InChIKeyWBUJKDOYFVLJOP-UHFFFAOYSA-N
XLogP6.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.57
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclobutylmethyl)-2-cyclohexylethanamine
CID 65457561
N-(cycloheptylmethyl)-3-cyclopentylpropan-1-amine
CID 106008062
N-(azetidin-3-ylmethyl)-2-cyclohexylethanamine
CID 115207859
3-[(2-cyclohexylethylamino)methyl]cyclopentan-1-ol
CID 103529231
2-(2-cycloheptylethylamino)ethanol
CID 22723010
2-(cycloundecylmethylamino)ethanol
CID 123930521
3-(2-cycloheptylethylamino)propan-1-ol
CID 114457835
2-cyclopentyl-N-(oxan-3-ylmethyl)ethanamine
CID 63741099
3-(cyclooctylmethylamino)propan-1-ol
CID 115674336
2-(2-cyclopentylethylamino)ethanol;hydrochloride
CID 22723115
2-cyclohexyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106633611
2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine
CID 60920753

Frequently Asked Questions

What is the IUPAC name of 2-cyclononyl-N-(cyclononylmethyl)ethanamine?
The IUPAC name of 2-cyclononyl-N-(cyclononylmethyl)ethanamine (CID 91347612) is 2-cyclononyl-N-(cyclononylmethyl)ethanamine.
What is the SMILES notation for 2-cyclononyl-N-(cyclononylmethyl)ethanamine?
The canonical SMILES for 2-cyclononyl-N-(cyclononylmethyl)ethanamine is C1CCCCC(CCNCC2CCCCCCCC2)CCC1.
What is the InChIKey of 2-cyclononyl-N-(cyclononylmethyl)ethanamine?
The InChIKey is WBUJKDOYFVLJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N/c1-2-6-10-14-20(13-9-5-1)17-18-22-19-21-15-11-7-3-4-8-12-16-21/h20-22H,1-19H2.
What are the key properties of 2-cyclononyl-N-(cyclononylmethyl)ethanamine?
2-cyclononyl-N-(cyclononylmethyl)ethanamine has a molecular weight of 307.57 g/mol, XLogP of 6.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclononyl-N-(cyclononylmethyl)ethanamine is sourced from PubChem (CID 91347612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).