N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]ethanamine

C10H17N — CID 15854281

IUPACN-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]ethanamine
SMILESCCNC[C@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C10H17N/c1-2-11-7-10-6-8-3-4-9(10)5-8/h3-4,8-11H,2,5-7H2,1H3/t8-,9+,10+/m0/s1
InChIKeyVMYVYQRZCLDPNG-IVZWLZJFSA-N
MW151.25 g/mol
LogP1.81
Rot. Bonds3

About N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]ethanamine

N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]ethanamine (PubChem CID 15854281) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]ethanamine
PubChem CID15854281
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]ethanamine
SMILESCCNC[C@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C10H17N/c1-2-11-7-10-6-8-3-4-9(10)5-8/h3-4,8-11H,2,5-7H2,1H3/t8-,9+,10+/m0/s1
InChIKeyVMYVYQRZCLDPNG-IVZWLZJFSA-N
XLogP1.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.81
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-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]ethanamine?
The IUPAC name of N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]ethanamine (CID 15854281) is N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]ethanamine.
What is the SMILES notation for N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]ethanamine?
The canonical SMILES for N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]ethanamine is CCNC[C@H]1C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]ethanamine?
The InChIKey is VMYVYQRZCLDPNG-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H17N/c1-2-11-7-10-6-8-3-4-9(10)5-8/h3-4,8-11H,2,5-7H2,1H3/t8-,9+,10+/m0/s1.
What are the key properties of N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]ethanamine?
N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]ethanamine has a molecular weight of 151.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]ethanamine is sourced from PubChem (CID 15854281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).