N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethoxyethanamine

C12H21NO — CID 43778399

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethoxyethanamine
SMILESCCOCCNCC1CC2C=CC1C2
InChIInChI=1S/C12H21NO/c1-2-14-6-5-13-9-12-8-10-3-4-11(12)7-10/h3-4,10-13H,2,5-9H2,1H3
InChIKeyYLVJXJCKSPOVIT-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.82
Rot. Bonds6

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethoxyethanamine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethoxyethanamine (PubChem CID 43778399) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethoxyethanamine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethoxyethanamine
PubChem CID43778399
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethoxyethanamine
SMILESCCOCCNCC1CC2C=CC1C2
InChIInChI=1S/C12H21NO/c1-2-14-6-5-13-9-12-8-10-3-4-11(12)7-10/h3-4,10-13H,2,5-9H2,1H3
InChIKeyYLVJXJCKSPOVIT-UHFFFAOYSA-N
XLogP1.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-ethoxypropan-1-amine
CID 98118056
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-ethoxybutan-1-amine
CID 115685518
2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethoxy]ethanol
CID 124526562
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butan-1-amine
CID 98118034
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methoxyethoxy)butan-1-amine
CID 115685556
2-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol
CID 98042869
2-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol
CID 7236700
2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethanol
CID 3154449
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-propan-2-yloxypropan-1-amine
CID 43225252
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanamine
CID 99702172
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,3-dimethylbutan-1-amine
CID 115685496
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxycyclobutan-1-amine
CID 102610282

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethoxyethanamine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethoxyethanamine (CID 43778399) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethoxyethanamine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethoxyethanamine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethoxyethanamine is CCOCCNCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethoxyethanamine?
The InChIKey is YLVJXJCKSPOVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-14-6-5-13-9-12-8-10-3-4-11(12)7-10/h3-4,10-13H,2,5-9H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethoxyethanamine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethoxyethanamine has a molecular weight of 195.31 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethoxyethanamine is sourced from PubChem (CID 43778399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).