[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine

C16H29N3 — CID 105365202

IUPAC[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
SMILESNCC1(N2CCCC3CCCC32)CCN2CCC1C2
InChIInChI=1S/C16H29N3/c17-12-16(7-10-18-9-6-14(16)11-18)19-8-2-4-13-3-1-5-15(13)19/h13-15H,1-12,17H2
InChIKeyYZRSQWZSLUBPCG-UHFFFAOYSA-N
MW263.43 g/mol
LogP1.67
Rot. Bonds2

About [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine

[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine (PubChem CID 105365202) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
PubChem CID105365202
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine
SMILESNCC1(N2CCCC3CCCC32)CCN2CCC1C2
InChIInChI=1S/C16H29N3/c17-12-16(7-10-18-9-6-14(16)11-18)19-8-2-4-13-3-1-5-15(13)19/h13-15H,1-12,17H2
InChIKeyYZRSQWZSLUBPCG-UHFFFAOYSA-N
XLogP1.67
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine?
The IUPAC name of [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine (CID 105365202) is [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine.
What is the SMILES notation for [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine?
The canonical SMILES for [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine is NCC1(N2CCCC3CCCC32)CCN2CCC1C2.
What is the InChIKey of [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine?
The InChIKey is YZRSQWZSLUBPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c17-12-16(7-10-18-9-6-14(16)11-18)19-8-2-4-13-3-1-5-15(13)19/h13-15H,1-12,17H2.
What are the key properties of [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine?
[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine has a molecular weight of 263.43 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-azabicyclo[3.2.1]octan-4-yl]methanamine is sourced from PubChem (CID 105365202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).