N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-ethylhexan-1-amine

C17H34N2 — CID 107815883

IUPACN-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNCCC1CC2CCC(C1)N2
InChIInChI=1S/C17H34N2/c1-3-5-6-14(4-2)13-18-10-9-15-11-16-7-8-17(12-15)19-16/h14-19H,3-13H2,1-2H3
InChIKeySJGUXJWHKSOXLU-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.71
Rot. Bonds9

About N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-ethylhexan-1-amine

N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-ethylhexan-1-amine (PubChem CID 107815883) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-ethylhexan-1-amine.

Molecular Properties

Compound NameN-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-ethylhexan-1-amine
PubChem CID107815883
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNCCC1CC2CCC(C1)N2
InChIInChI=1S/C17H34N2/c1-3-5-6-14(4-2)13-18-10-9-15-11-16-7-8-17(12-15)19-16/h14-19H,3-13H2,1-2H3
InChIKeySJGUXJWHKSOXLU-UHFFFAOYSA-N
XLogP3.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-ethylhexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-N-pentylhexan-1-amine
CID 43081963
3-butyl-8-azabicyclo[3.2.1]octane
CID 68907966
N-(2-cyclopentylethyl)-2-ethylbutan-1-amine
CID 60732890
2-ethyl-N-[3-(oxolan-2-yl)propyl]hexan-1-amine
CID 104668425
N,2-diethylhexan-1-amine
CID 14272988
magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336
3-N-(2-ethylhexyl)propane-1,1,3-triamine
CID 142717096
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethylheptanamide;hydrochloride
CID 119456810
N-[(4-chlorocyclohexyl)methyl]-2-ethylhexan-1-amine
CID 106123390
N-(2-ethylhexyl)cyclopropanamine
CID 43163806
N'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine
CID 59929730
N-(4-chloropentyl)-2-ethylhexan-1-amine
CID 106121824

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-ethylhexan-1-amine?
The IUPAC name of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-ethylhexan-1-amine (CID 107815883) is N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-ethylhexan-1-amine.
What is the SMILES notation for N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-ethylhexan-1-amine?
The canonical SMILES for N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-ethylhexan-1-amine is CCCCC(CC)CNCCC1CC2CCC(C1)N2.
What is the InChIKey of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-ethylhexan-1-amine?
The InChIKey is SJGUXJWHKSOXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-5-6-14(4-2)13-18-10-9-15-11-16-7-8-17(12-15)19-16/h14-19H,3-13H2,1-2H3.
What are the key properties of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-ethylhexan-1-amine?
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-ethylhexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-ethylhexan-1-amine is sourced from PubChem (CID 107815883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).