N-ethyl-9-(pyridin-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine

C16H25N3 — CID 55105886

IUPACN-ethyl-9-(pyridin-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCNC1CC2CCCC(C1)N2Cc1ccccn1
InChIInChI=1S/C16H25N3/c1-2-17-14-10-15-7-5-8-16(11-14)19(15)12-13-6-3-4-9-18-13/h3-4,6,9,14-17H,2,5,7-8,10-12H2,1H3
InChIKeyFRCMQTIGRCBASN-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.58
Rot. Bonds4

About N-ethyl-9-(pyridin-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine

N-ethyl-9-(pyridin-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 55105886) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-ethyl-9-(pyridin-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-ethyl-9-(pyridin-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID55105886
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-ethyl-9-(pyridin-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCNC1CC2CCCC(C1)N2Cc1ccccn1
InChIInChI=1S/C16H25N3/c1-2-17-14-10-15-7-5-8-16(11-14)19(15)12-13-6-3-4-9-18-13/h3-4,6,9,14-17H,2,5,7-8,10-12H2,1H3
InChIKeyFRCMQTIGRCBASN-UHFFFAOYSA-N
XLogP2.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740133
N-ethyl-9-(1,2-oxazol-5-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 106421181
N-ethyl-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712896
[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 82242881
9-[(3-chlorophenyl)methyl]-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712587
3-propyl-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 138608098
N-ethyl-9-[2-(furan-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713661
iodoethane;1-N,3-N,5-N-tris(pyridin-2-ylmethyl)cyclohexane-1,3,5-triamine
CID 159564484
3-propan-2-yl-8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
CID 67986727
N-propyl-8-(pyridazin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 106897823
9-(cyclobutylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713983
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-9-(pyridin-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-ethyl-9-(pyridin-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 55105886) is N-ethyl-9-(pyridin-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-ethyl-9-(pyridin-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-ethyl-9-(pyridin-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine is CCNC1CC2CCCC(C1)N2Cc1ccccn1.
What is the InChIKey of N-ethyl-9-(pyridin-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is FRCMQTIGRCBASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-17-14-10-15-7-5-8-16(11-14)19(15)12-13-6-3-4-9-18-13/h3-4,6,9,14-17H,2,5,7-8,10-12H2,1H3.
What are the key properties of N-ethyl-9-(pyridin-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
N-ethyl-9-(pyridin-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 259.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9-(pyridin-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 55105886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).