N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-ethylhexan-1-amine

C17H31N — CID 43767489

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNC(C)C1CC2C=CC1C2
InChIInChI=1S/C17H31N/c1-4-6-7-14(5-2)12-18-13(3)17-11-15-8-9-16(17)10-15/h8-9,13-18H,4-7,10-12H2,1-3H3
InChIKeyUBZIIQUHQAIHGD-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.39
Rot. Bonds8

About N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-ethylhexan-1-amine

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-ethylhexan-1-amine (PubChem CID 43767489) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-ethylhexan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-ethylhexan-1-amine
PubChem CID43767489
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNC(C)C1CC2C=CC1C2
InChIInChI=1S/C17H31N/c1-4-6-7-14(5-2)12-18-13(3)17-11-15-8-9-16(17)10-15/h8-9,13-18H,4-7,10-12H2,1-3H3
InChIKeyUBZIIQUHQAIHGD-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.39
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-decan-2-ylbicyclo[2.2.1]hept-2-ene
CID 58604181
N-[(1S)-1-cycloheptylethyl]-2-ethylhexan-1-amine
CID 81392135
1-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43767794
1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclopentan-1-ol
CID 65107627
N-(3,3-dimethylbutan-2-yl)-2-ethylhexan-1-amine
CID 104828083
2-N-(2-ethylhexyl)propane-1,2-diamine
CID 57275977
3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-4,4-dimethylpentan-1-ol
CID 106349050
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-cyclohexyloxypropan-1-amine
CID 43770845
N-[cyclopropyl(phenyl)methyl]-2-ethylhexan-1-amine
CID 63420427
N-(2-ethylhexyl)-3-methylcyclopentan-1-amine
CID 64500388
tert-butyl 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetate
CID 81462502
N-(2-ethylhexyl)cyclopropanamine
CID 43163806

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-ethylhexan-1-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-ethylhexan-1-amine (CID 43767489) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-ethylhexan-1-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-ethylhexan-1-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-ethylhexan-1-amine is CCCCC(CC)CNC(C)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-ethylhexan-1-amine?
The InChIKey is UBZIIQUHQAIHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-4-6-7-14(5-2)12-18-13(3)17-11-15-8-9-16(17)10-15/h8-9,13-18H,4-7,10-12H2,1-3H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-ethylhexan-1-amine?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-ethylhexan-1-amine has a molecular weight of 249.44 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-ethylhexan-1-amine is sourced from PubChem (CID 43767489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).