N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-yl)methanamine

C13H21NO — CID 3156817

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-yl)methanamine
SMILESC1=CC2CC1CC2CNCC1CCCO1
InChIInChI=1S/C13H21NO/c1-2-13(15-5-1)9-14-8-12-7-10-3-4-11(12)6-10/h3-4,10-14H,1-2,5-9H2
InChIKeyGKTMCVSDINGPBO-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.97
Rot. Bonds4

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-yl)methanamine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-yl)methanamine (PubChem CID 3156817) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-yl)methanamine
PubChem CID3156817
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-yl)methanamine
SMILESC1=CC2CC1CC2CNCC1CCCO1
InChIInChI=1S/C13H21NO/c1-2-13(15-5-1)9-14-8-12-7-10-3-4-11(12)6-10/h3-4,10-14H,1-2,5-9H2
InChIKeyGKTMCVSDINGPBO-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-yl)methanamine (CID 3156817) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-yl)methanamine is C1=CC2CC1CC2CNCC1CCCO1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-yl)methanamine?
The InChIKey is GKTMCVSDINGPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-13(15-5-1)9-14-8-12-7-10-3-4-11(12)6-10/h3-4,10-14H,1-2,5-9H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-yl)methanamine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(oxolan-2-yl)methanamine has a molecular weight of 207.32 g/mol, XLogP of 1.97, 4 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)-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 3156817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).