N-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine

C12H24N2 — CID 62741048

IUPACN-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2C(C)C
InChIInChI=1S/C12H24N2/c1-4-13-10-7-11-5-6-12(8-10)14(11)9(2)3/h9-13H,4-8H2,1-3H3
InChIKeyDNXRGKFQRJDNLI-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.00
Rot. Bonds3

About N-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62741048) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62741048
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2C(C)C
InChIInChI=1S/C12H24N2/c1-4-13-10-7-11-5-6-12(8-10)14(11)9(2)3/h9-13H,4-8H2,1-3H3
InChIKeyDNXRGKFQRJDNLI-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738418
8-(3,3-dimethylbutan-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 104830045
8-(1-ethoxypropan-2-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740940
(2S,4S)-N-ethyl-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine
CID 175638463
N-ethyl-9-pentan-3-yl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105982
(1R,5S)-8-propan-2-yl-N-(4,4,4-trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 177148556
N-ethyl-9-(1-pyrrolidin-1-ylpropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713666
8-[2-(dimethylamino)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55107250
N-ethyl-8-[1-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 66242436
N-ethyl-8-[1-(5-methylthiophen-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62740022
N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 24692919
8-cycloheptyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738438

Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine (CID 62741048) is N-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2C(C)C.
What is the InChIKey of N-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is DNXRGKFQRJDNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-13-10-7-11-5-6-12(8-10)14(11)9(2)3/h9-13H,4-8H2,1-3H3.
What are the key properties of N-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 196.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62741048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).