9-amino-N-(2-cyclopentyloxyethyl)bicyclo[3.3.1]nonane-3-carboxamide

C17H30N2O2 — CID 120986701

IUPAC9-amino-N-(2-cyclopentyloxyethyl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)NCCOC1CCCC1)C2
InChIInChI=1S/C17H30N2O2/c18-16-12-4-3-5-13(16)11-14(10-12)17(20)19-8-9-21-15-6-1-2-7-15/h12-16H,1-11,18H2,(H,19,20)
InChIKeyLLTIKQYKNUNACQ-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.22
Rot. Bonds5

About 9-amino-N-(2-cyclopentyloxyethyl)bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-(2-cyclopentyloxyethyl)bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120986701) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 9-amino-N-(2-cyclopentyloxyethyl)bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-(2-cyclopentyloxyethyl)bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120986701
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name9-amino-N-(2-cyclopentyloxyethyl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)NCCOC1CCCC1)C2
InChIInChI=1S/C17H30N2O2/c18-16-12-4-3-5-13(16)11-14(10-12)17(20)19-8-9-21-15-6-1-2-7-15/h12-16H,1-11,18H2,(H,19,20)
InChIKeyLLTIKQYKNUNACQ-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-amino-N-[2-(cyclopropylmethoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989389
N-(2-cyclohexyloxyethyl)cyclohexanecarboxamide
CID 140689700
9-amino-N-(3-amino-3-oxopropyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986072
9-amino-N-(cyclopropylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984863
4-amino-N-(2-cyclopentyloxyethyl)-3-methylcyclohexane-1-carboxamide
CID 63832217
3-amino-N-(2-cyclohexyloxyethyl)-4-methylcyclohexane-1-carboxamide
CID 63833458
2-amino-N-(2-cyclopentyloxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119737689
ethyl 3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate
CID 120987730
N-(2-cyclopentyloxyethyl)piperidine-4-carboxamide
CID 63828643
9-amino-N-[2-(2-methylpropanoylamino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984662
9-amino-N-[2-(2,6-dimethylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986147
9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985035

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(2-cyclopentyloxyethyl)bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-(2-cyclopentyloxyethyl)bicyclo[3.3.1]nonane-3-carboxamide (CID 120986701) is 9-amino-N-(2-cyclopentyloxyethyl)bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-(2-cyclopentyloxyethyl)bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-(2-cyclopentyloxyethyl)bicyclo[3.3.1]nonane-3-carboxamide is NC1C2CCCC1CC(C(=O)NCCOC1CCCC1)C2.
What is the InChIKey of 9-amino-N-(2-cyclopentyloxyethyl)bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is LLTIKQYKNUNACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c18-16-12-4-3-5-13(16)11-14(10-12)17(20)19-8-9-21-15-6-1-2-7-15/h12-16H,1-11,18H2,(H,19,20).
What are the key properties of 9-amino-N-(2-cyclopentyloxyethyl)bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-(2-cyclopentyloxyethyl)bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(2-cyclopentyloxyethyl)bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120986701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).