N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine

C18H29N3 — CID 65324755

IUPACN-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(N2CCCC3CCCC32)ccn1
InChIInChI=1S/C18H29N3/c1-18(2,3)20-13-15-12-16(9-10-19-15)21-11-5-7-14-6-4-8-17(14)21/h9-10,12,14,17,20H,4-8,11,13H2,1-3H3
InChIKeyFPJKZOYNAPVWHI-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.74
Rot. Bonds3

About N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 65324755) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID65324755
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(N2CCCC3CCCC32)ccn1
InChIInChI=1S/C18H29N3/c1-18(2,3)20-13-15-12-16(9-10-19-15)21-11-5-7-14-6-4-8-17(14)21/h9-10,12,14,17,20H,4-8,11,13H2,1-3H3
InChIKeyFPJKZOYNAPVWHI-UHFFFAOYSA-N
XLogP3.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine (CID 65324755) is N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cc(N2CCCC3CCCC32)ccn1.
What is the InChIKey of N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is FPJKZOYNAPVWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-18(2,3)20-13-15-12-16(9-10-19-15)21-11-5-7-14-6-4-8-17(14)21/h9-10,12,14,17,20H,4-8,11,13H2,1-3H3.
What are the key properties of N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65324755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).