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

C16H28N2O2 — CID 120989389

IUPAC9-amino-N-[2-(cyclopropylmethoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)NCCOCC1CC1)C2
InChIInChI=1S/C16H28N2O2/c17-15-12-2-1-3-13(15)9-14(8-12)16(19)18-6-7-20-10-11-4-5-11/h11-15H,1-10,17H2,(H,18,19)
InChIKeyKABFCPDAEWIXLN-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.68
Rot. Bonds6

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

9-amino-N-[2-(cyclopropylmethoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120989389) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 9-amino-N-[2-(cyclopropylmethoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[2-(cyclopropylmethoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120989389
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name9-amino-N-[2-(cyclopropylmethoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)NCCOCC1CC1)C2
InChIInChI=1S/C16H28N2O2/c17-15-12-2-1-3-13(15)9-14(8-12)16(19)18-6-7-20-10-11-4-5-11/h11-15H,1-10,17H2,(H,18,19)
InChIKeyKABFCPDAEWIXLN-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-amino-N-[2-(cyclopropylmethoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-amino-N-(cyclopropylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984863
4-amino-N-[2-(cyclopropylmethoxy)ethyl]cyclohexane-1-carboxamide
CID 103795970
9-amino-N-(2-cyclopentyloxyethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986701
9-amino-N-[2-(cyclopropylmethylamino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120994182
9-amino-N-(3-amino-3-oxopropyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986072
9-amino-N-[2-(cyclopropylmethylsulfonyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120992972
ethyl 3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate
CID 120987730
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-chloroprop-2-enyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990322
9-amino-N-[(3-methylcyclohexyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987251
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-(cyclopropylmethoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[2-(cyclopropylmethoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120989389) is 9-amino-N-[2-(cyclopropylmethoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[2-(cyclopropylmethoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[2-(cyclopropylmethoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide is NC1C2CCCC1CC(C(=O)NCCOCC1CC1)C2.
What is the InChIKey of 9-amino-N-[2-(cyclopropylmethoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is KABFCPDAEWIXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c17-15-12-2-1-3-13(15)9-14(8-12)16(19)18-6-7-20-10-11-4-5-11/h11-15H,1-10,17H2,(H,18,19).
What are the key properties of 9-amino-N-[2-(cyclopropylmethoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[2-(cyclopropylmethoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 280.41 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[2-(cyclopropylmethoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120989389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).