N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen

C12H25N — CID 156748963

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen
SMILESCC.CCNCC1CC2C=CC1C2.[H][H]
InChIInChI=1S/C10H17N.C2H6.H2/c1-2-11-7-10-6-8-3-4-9(10)5-8;1-2;/h3-4,8-11H,2,5-7H2,1H3;1-2H3;1H
InChIKeyFGLWVFJNCNFDLM-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.08
Rot. Bonds3

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen (PubChem CID 156748963) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen
PubChem CID156748963
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen
SMILESCC.CCNCC1CC2C=CC1C2.[H][H]
InChIInChI=1S/C10H17N.C2H6.H2/c1-2-11-7-10-6-8-3-4-9(10)5-8;1-2;/h3-4,8-11H,2,5-7H2,1H3;1-2H3;1H
InChIKeyFGLWVFJNCNFDLM-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Norbornene-2-methylamine
CID 247182
4,7-Methanoisoindoline, 3a,4,7,7a-tetrahydro-, hydrochloride
CID 204238
5-Norbornene-2-methylamine, N-cyclopropyl-
CID 204491
2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindole
CID 204239
(3AR,4S,7R,7aS)-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindole
CID 12655650
(1S,2R,4S)-bicyclo[2.2.1]hept-5-en-2-ylmethanamine
CID 11885373
(Bicyclo(2.2.1)hept-5-en-2-ylmethyl)(propan-2-yl)amine
CID 43225117
[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649
{Bicyclo[2.2.1]hept-5-en-2-ylmethyl}(butyl)amine
CID 19753053
({Bicyclo[2.2.1]hept-5-en-2-yl}methyl)(tert-butyl)amine
CID 43754984
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 86778763
N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,2,2-trifluoroethanamine
CID 58455765

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen (CID 156748963) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen is CC.CCNCC1CC2C=CC1C2.[H][H].
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen?
The InChIKey is FGLWVFJNCNFDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.C2H6.H2/c1-2-11-7-10-6-8-3-4-9(10)5-8;1-2;/h3-4,8-11H,2,5-7H2,1H3;1-2H3;1H.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen has a molecular weight of 183.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine;ethane;molecular hydrogen is sourced from PubChem (CID 156748963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).