N-(2-cyclopentylethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

C16H30N2 — CID 114191604

IUPACN-(2-cyclopentylethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(CCC1CCCC1)C1CC2CCC(C1)N2
InChIInChI=1S/C16H30N2/c1-2-18(10-9-13-5-3-4-6-13)16-11-14-7-8-15(12-16)17-14/h13-17H,2-12H2,1H3
InChIKeyPISHKYBOOIMBHZ-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.17
Rot. Bonds5

About N-(2-cyclopentylethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

N-(2-cyclopentylethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 114191604) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID114191604
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-(2-cyclopentylethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(CCC1CCCC1)C1CC2CCC(C1)N2
InChIInChI=1S/C16H30N2/c1-2-18(10-9-13-5-3-4-6-13)16-11-14-7-8-15(12-16)17-14/h13-17H,2-12H2,1H3
InChIKeyPISHKYBOOIMBHZ-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylcyclopentanamine
CID 79614979
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylcyclopropanamine
CID 79615192
N-(cyclopropylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233017
N-ethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 112590844
N-ethyl-N-(4-methoxybutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 104648573
3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N,N-dimethylpropanamide
CID 61231741
N-(2-cyclohexylethyl)-N-ethylazepan-4-amine;hydrochloride
CID 120844769
N-ethyl-N-(4-propylcycloheptyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 65088688
N-(2-cyclopropylethyl)-N-ethylazetidin-3-amine
CID 66181540
N-ethyl-N-(2-ethylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61231107
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclobutylmethyl)-N-ethylethanamine
CID 107399300
1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]propan-2-ol
CID 61231550

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(2-cyclopentylethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (CID 114191604) is N-(2-cyclopentylethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(2-cyclopentylethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(2-cyclopentylethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is CCN(CCC1CCCC1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(2-cyclopentylethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is PISHKYBOOIMBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-18(10-9-13-5-3-4-6-13)16-11-14-7-8-15(12-16)17-14/h13-17H,2-12H2,1H3.
What are the key properties of N-(2-cyclopentylethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(2-cyclopentylethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 250.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 114191604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).