2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclobutylmethyl)-N-ethylethanamine

C16H30N2 — CID 107399300

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclobutylmethyl)-N-ethylethanamine
SMILESCCN(CCC1CC2CCC(C1)N2)CC1CCC1
InChIInChI=1S/C16H30N2/c1-2-18(12-13-4-3-5-13)9-8-14-10-15-6-7-16(11-14)17-15/h13-17H,2-12H2,1H3
InChIKeyWUHDSVUEABTYGJ-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.03
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclobutylmethyl)-N-ethylethanamine

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclobutylmethyl)-N-ethylethanamine (PubChem CID 107399300) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclobutylmethyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclobutylmethyl)-N-ethylethanamine
PubChem CID107399300
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclobutylmethyl)-N-ethylethanamine
SMILESCCN(CCC1CC2CCC(C1)N2)CC1CCC1
InChIInChI=1S/C16H30N2/c1-2-18(12-13-4-3-5-13)9-8-14-10-15-6-7-16(11-14)17-15/h13-17H,2-12H2,1H3
InChIKeyWUHDSVUEABTYGJ-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.03
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-(7-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-(cyclobutylmethyl)ethanamine
CID 107399411
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopropylmethyl)-N-methylethanamine
CID 79615266
2-cyclobutyl-N,N-diethylethanamine
CID 142625062
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-ethylcyclopropanamine
CID 79615192
N'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine
CID 2058149
N-(2-cyclopentylethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 114191604
2-cyclopentyl-N-ethyl-N-(piperidin-3-ylmethyl)ethanamine
CID 114191629
N-(cyclobutylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 65456700
3-[cyclobutylmethyl(ethyl)amino]propan-1-ol
CID 115666204
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(oxan-4-ylmethyl)ethanamine
CID 79615063
2-[2-[cyclobutylmethyl(ethyl)amino]ethyl]-N-ethylcyclopentan-1-amine
CID 107398091

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclobutylmethyl)-N-ethylethanamine?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclobutylmethyl)-N-ethylethanamine (CID 107399300) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclobutylmethyl)-N-ethylethanamine.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclobutylmethyl)-N-ethylethanamine?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclobutylmethyl)-N-ethylethanamine is CCN(CCC1CC2CCC(C1)N2)CC1CCC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclobutylmethyl)-N-ethylethanamine?
The InChIKey is WUHDSVUEABTYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-2-18(12-13-4-3-5-13)9-8-14-10-15-6-7-16(11-14)17-15/h13-17H,2-12H2,1H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclobutylmethyl)-N-ethylethanamine?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclobutylmethyl)-N-ethylethanamine has a molecular weight of 250.43 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclobutylmethyl)-N-ethylethanamine is sourced from PubChem (CID 107399300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).