3-amino-N-(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)propanamide

C14H24N2O — CID 122499351

IUPAC3-amino-N-(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)propanamide
SMILESCCC1=CC2CCC(NC(=O)CCN)C(C1)C2
InChIInChI=1S/C14H24N2O/c1-2-10-7-11-3-4-13(12(8-10)9-11)16-14(17)5-6-15/h7,11-13H,2-6,8-9,15H2,1H3,(H,16,17)
InChIKeyARZLVTFSPXAHAH-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.98
Rot. Bonds4

About 3-amino-N-(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)propanamide

3-amino-N-(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)propanamide (PubChem CID 122499351) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-amino-N-(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)propanamide
PubChem CID122499351
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-amino-N-(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)propanamide
SMILESCCC1=CC2CCC(NC(=O)CCN)C(C1)C2
InChIInChI=1S/C14H24N2O/c1-2-10-7-11-3-4-13(12(8-10)9-11)16-14(17)5-6-15/h7,11-13H,2-6,8-9,15H2,1H3,(H,16,17)
InChIKeyARZLVTFSPXAHAH-UHFFFAOYSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bicyclo[3.3.1]non-6-enyl)acetamide
CID 12444220
N-[2-(cyclohexen-1-yl)cyclohexyl]-2-methylpropanamide
CID 91382224
N-(2-tricyclo[3.3.1.13,7]dec-5-enyl)acetamide
CID 122499369
5-Cyclohexyl-2-methyl-6-[[(4-methylcyclohexyl)amino]methyl]-1,2,3,6-tetrahydroazepin-7-one
CID 123139440
7-amino-4-butyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one
CID 123682999
(2E)-N-[2-[(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)amino]ethyl]-3,7-dimethylocta-2,6-dienamide
CID 154964542
N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]acetamide
CID 166814817
N-(3-bicyclo[3.3.1]non-6-enyl)propanamide
CID 12739445
(1R,7R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2,10-dien-5-one
CID 46216698
2-amino-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1-carboxamide
CID 64824095
N-[2-(aminomethyl)cyclohexyl]-2-(cyclohexen-1-yl)acetamide
CID 65849649
N-[2-(aminomethyl)cyclohexyl]cyclohex-3-ene-1-carboxamide
CID 65850604

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)propanamide?
The IUPAC name of 3-amino-N-(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)propanamide (CID 122499351) is 3-amino-N-(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)propanamide.
What is the SMILES notation for 3-amino-N-(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)propanamide?
The canonical SMILES for 3-amino-N-(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)propanamide is CCC1=CC2CCC(NC(=O)CCN)C(C1)C2.
What is the InChIKey of 3-amino-N-(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)propanamide?
The InChIKey is ARZLVTFSPXAHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-10-7-11-3-4-13(12(8-10)9-11)16-14(17)5-6-15/h7,11-13H,2-6,8-9,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)propanamide?
3-amino-N-(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)propanamide has a molecular weight of 236.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)propanamide is sourced from PubChem (CID 122499351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).