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

C14H21N3 — CID 62712920

IUPAC9-(pyridin-3-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESNC1CC2CCCC(C1)N2Cc1cccnc1
InChIInChI=1S/C14H21N3/c15-12-7-13-4-1-5-14(8-12)17(13)10-11-3-2-6-16-9-11/h2-3,6,9,12-14H,1,4-5,7-8,10,15H2
InChIKeyBIOVJBIWEQHSHU-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.93
Rot. Bonds2

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

9-(pyridin-3-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62712920) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 9-(pyridin-3-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(pyridin-3-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62712920
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name9-(pyridin-3-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESNC1CC2CCCC(C1)N2Cc1cccnc1
InChIInChI=1S/C14H21N3/c15-12-7-13-4-1-5-14(8-12)17(13)10-11-3-2-6-16-9-11/h2-3,6,9,12-14H,1,4-5,7-8,10,15H2
InChIKeyBIOVJBIWEQHSHU-UHFFFAOYSA-N
XLogP1.93
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61233276
9-(2-pyridin-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712043
(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 98110557
(1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 138376241
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
3-methyl-8-(pyridin-3-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
CID 175732632
N-propyl-8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740890
9-(2-pyridin-4-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712936
11-(pyridin-3-ylmethyl)-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 56794347
8-[(5-fluoro-3-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 114084592
9-[(2-methoxy-4-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 62992716
3-(pyridin-3-ylmethyl)cycloheptan-1-amine
CID 104736993

Frequently Asked Questions

What is the IUPAC name of 9-(pyridin-3-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(pyridin-3-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 62712920) is 9-(pyridin-3-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(pyridin-3-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(pyridin-3-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine is NC1CC2CCCC(C1)N2Cc1cccnc1.
What is the InChIKey of 9-(pyridin-3-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is BIOVJBIWEQHSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c15-12-7-13-4-1-5-14(8-12)17(13)10-11-3-2-6-16-9-11/h2-3,6,9,12-14H,1,4-5,7-8,10,15H2.
What are the key properties of 9-(pyridin-3-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine?
9-(pyridin-3-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 231.34 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(pyridin-3-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62712920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).