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

C17H29N — CID 79861344

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,2-dimethylcyclohexan-1-amine
SMILESCC(NC1CCCCC1(C)C)C1CC2C=CC1C2
InChIInChI=1S/C17H29N/c1-12(15-11-13-7-8-14(15)10-13)18-16-6-4-5-9-17(16,2)3/h7-8,12-16,18H,4-6,9-11H2,1-3H3
InChIKeyYBPIWHHFOHFWLT-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.15
Rot. Bonds3

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

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,2-dimethylcyclohexan-1-amine (PubChem CID 79861344) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,2-dimethylcyclohexan-1-amine
PubChem CID79861344
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,2-dimethylcyclohexan-1-amine
SMILESCC(NC1CCCCC1(C)C)C1CC2C=CC1C2
InChIInChI=1S/C17H29N/c1-12(15-11-13-7-8-14(15)10-13)18-16-6-4-5-9-17(16,2)3/h7-8,12-16,18H,4-6,9-11H2,1-3H3
InChIKeyYBPIWHHFOHFWLT-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.15
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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79829243
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-methylcyclopentan-1-amine
CID 114543889
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1,1-dioxothian-3-amine
CID 63924297
1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclopentan-1-ol
CID 65107627
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-methylsulfanylcyclohexan-1-amine
CID 114122254
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-cyclohexylethyl)ethanamine
CID 63450487
N-(3-ethylpentan-2-yl)-2,2-dimethylcyclohexan-1-amine
CID 79836282
2-[(2,2-dimethylcyclohexyl)amino]propane-1,3-diol
CID 79836294
3-[(2,2-dimethylcyclohexyl)amino]butan-1-ol
CID 81338842
N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 81352952
N-[(1R)-1-(4-bromophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 81354568
2,2-dimethyl-N-[1-(2,4,5-trimethylphenyl)ethyl]cyclohexan-1-amine
CID 79862070

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,2-dimethylcyclohexan-1-amine (CID 79861344) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,2-dimethylcyclohexan-1-amine is CC(NC1CCCCC1(C)C)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,2-dimethylcyclohexan-1-amine?
The InChIKey is YBPIWHHFOHFWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-12(15-11-13-7-8-14(15)10-13)18-16-6-4-5-9-17(16,2)3/h7-8,12-16,18H,4-6,9-11H2,1-3H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,2-dimethylcyclohexan-1-amine?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2,2-dimethylcyclohexan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.15, 3 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]-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79861344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).