N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylsulfanylpentan-1-amine

C14H25NS — CID 104923281

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylsulfanylpentan-1-amine
SMILESCSCCCCCNCC1CC2C=CC1C2
InChIInChI=1S/C14H25NS/c1-16-8-4-2-3-7-15-11-14-10-12-5-6-13(14)9-12/h5-6,12-15H,2-4,7-11H2,1H3
InChIKeyVUDZNVPNZKIIQM-UHFFFAOYSA-N
MW239.43 g/mol
LogP3.32
Rot. Bonds8

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylsulfanylpentan-1-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylsulfanylpentan-1-amine (PubChem CID 104923281) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylsulfanylpentan-1-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylsulfanylpentan-1-amine
PubChem CID104923281
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylsulfanylpentan-1-amine
SMILESCSCCCCCNCC1CC2C=CC1C2
InChIInChI=1S/C14H25NS/c1-16-8-4-2-3-7-15-11-14-10-12-5-6-13(14)9-12/h5-6,12-15H,2-4,7-11H2,1H3
InChIKeyVUDZNVPNZKIIQM-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 53.32
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

{Bicyclo[2.2.1]hept-5-en-2-ylmethyl}(butyl)amine
CID 19753053
({Bicyclo[2.2.1]hept-5-en-2-yl}methyl)(propyl)amine
CID 14921525
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
CID 103745190
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106427071
S-(2-bicyclo[2.2.1]hept-5-enylmethyl) N-butylcarbamothioate
CID 20649858
2-bicyclo[2.2.1]hept-5-enylmethyl N-butylcarbamodithioate
CID 20649859
N-methyl-1-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)methanamine
CID 20681098
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine
CID 43225176
({Bicyclo[2.2.1]hept-5-en-2-yl}methyl)(2-methylpropyl)amine
CID 43225180
2-(2-Bicyclo[2.2.1]hept-5-enylmethylsulfanyl)ethanamine
CID 57644202
(2S)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,3-dimethylbutan-1-amine
CID 59084829
2-(2,3,3a,7a-tetrahydro-1H-inden-2-yl)thiomorpholine
CID 123952024

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylsulfanylpentan-1-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylsulfanylpentan-1-amine (CID 104923281) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylsulfanylpentan-1-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylsulfanylpentan-1-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylsulfanylpentan-1-amine is CSCCCCCNCC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylsulfanylpentan-1-amine?
The InChIKey is VUDZNVPNZKIIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-16-8-4-2-3-7-15-11-14-10-12-5-6-13(14)9-12/h5-6,12-15H,2-4,7-11H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylsulfanylpentan-1-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-methylsulfanylpentan-1-amine has a molecular weight of 239.43 g/mol, XLogP of 3.32, 8 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)-5-methylsulfanylpentan-1-amine is sourced from PubChem (CID 104923281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).