N-ethyl-8-(4-methylpiperazin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine

C14H28N4 — CID 83024794

IUPACN-ethyl-8-(4-methylpiperazin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2N1CCN(C)CC1
InChIInChI=1S/C14H28N4/c1-3-15-12-10-13-4-5-14(11-12)18(13)17-8-6-16(2)7-9-17/h12-15H,3-11H2,1-2H3
InChIKeyJVGPSMIOZIEDPZ-UHFFFAOYSA-N
MW252.41 g/mol
LogP0.75
Rot. Bonds3

About N-ethyl-8-(4-methylpiperazin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-8-(4-methylpiperazin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 83024794) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-ethyl-8-(4-methylpiperazin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-8-(4-methylpiperazin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID83024794
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN-ethyl-8-(4-methylpiperazin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2N1CCN(C)CC1
InChIInChI=1S/C14H28N4/c1-3-15-12-10-13-4-5-14(11-12)18(13)17-8-6-16(2)7-9-17/h12-15H,3-11H2,1-2H3
InChIKeyJVGPSMIOZIEDPZ-UHFFFAOYSA-N
XLogP0.75
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-9-(4-methylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 83024701
N-ethyl-8-[(1-methylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 55106669
N-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741048
N-ethyl-9-(1-methylpiperidin-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713820
8-cycloheptyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738438
N-ethyl-8-[(4-methylmorpholin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 79071084
N-ethyl-8-[(1-methylpyrrolidin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 114137824
8-[(1-methylpiperidin-4-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740031
N-methyl-8-piperidin-1-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 83025378
ethane;N-ethyl-3-morpholin-4-ylcyclopentan-1-amine
CID 170576224
N-ethyl-3-piperidin-1-ylcyclopentan-1-amine
CID 79643289
N-ethyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712172

Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-(4-methylpiperazin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-8-(4-methylpiperazin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 83024794) is N-ethyl-8-(4-methylpiperazin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-8-(4-methylpiperazin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-8-(4-methylpiperazin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2N1CCN(C)CC1.
What is the InChIKey of N-ethyl-8-(4-methylpiperazin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is JVGPSMIOZIEDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-3-15-12-10-13-4-5-14(11-12)18(13)17-8-6-16(2)7-9-17/h12-15H,3-11H2,1-2H3.
What are the key properties of N-ethyl-8-(4-methylpiperazin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-8-(4-methylpiperazin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 252.41 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-(4-methylpiperazin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 83024794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).