N-ethyl-9-(4-methylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonan-3-amine

C15H30N4 — CID 83024701

IUPACN-ethyl-9-(4-methylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCNC1CC2CCCC(C1)N2N1CCN(C)CC1
InChIInChI=1S/C15H30N4/c1-3-16-13-11-14-5-4-6-15(12-13)19(14)18-9-7-17(2)8-10-18/h13-16H,3-12H2,1-2H3
InChIKeyQHUPHYPCUHVAJA-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.14
Rot. Bonds3

About N-ethyl-9-(4-methylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonan-3-amine

N-ethyl-9-(4-methylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 83024701) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is N-ethyl-9-(4-methylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-ethyl-9-(4-methylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID83024701
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC NameN-ethyl-9-(4-methylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCNC1CC2CCCC(C1)N2N1CCN(C)CC1
InChIInChI=1S/C15H30N4/c1-3-16-13-11-14-5-4-6-15(12-13)19(14)18-9-7-17(2)8-10-18/h13-16H,3-12H2,1-2H3
InChIKeyQHUPHYPCUHVAJA-UHFFFAOYSA-N
XLogP1.14
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-8-(4-methylpiperazin-1-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 83024794
N-ethyl-9-(1-methylpiperidin-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713820
N-ethyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712172
3-N-ethyl-9-N,9-N-dimethyl-9-azabicyclo[3.3.1]nonane-3,9-diamine
CID 83024792
9-cycloheptyl-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106081
N-ethyl-9-(3-methylpentan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 106329578
9-(cyclobutylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713983
N-ethyl-8-[(1-methylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 55106669
N-ethyl-9-pentan-3-yl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105982
9-(1,1-dioxothian-4-yl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712030
8-cycloheptyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738438
N-ethyl-9-(1-pyrrolidin-1-ylpropan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713666

Frequently Asked Questions

What is the IUPAC name of N-ethyl-9-(4-methylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-ethyl-9-(4-methylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 83024701) is N-ethyl-9-(4-methylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-ethyl-9-(4-methylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-ethyl-9-(4-methylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonan-3-amine is CCNC1CC2CCCC(C1)N2N1CCN(C)CC1.
What is the InChIKey of N-ethyl-9-(4-methylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is QHUPHYPCUHVAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-3-16-13-11-14-5-4-6-15(12-13)19(14)18-9-7-17(2)8-10-18/h13-16H,3-12H2,1-2H3.
What are the key properties of N-ethyl-9-(4-methylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
N-ethyl-9-(4-methylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 266.43 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9-(4-methylpiperazin-1-yl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 83024701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).