N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine

C17H26N2O — CID 105009718

IUPACN-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCc2cccnc21)C1OCCC1C
InChIInChI=1S/C17H26N2O/c1-3-9-18-16(17-12(2)8-11-20-17)14-7-6-13-5-4-10-19-15(13)14/h4-5,10,12,14,16-18H,3,6-9,11H2,1-2H3
InChIKeyNRHMECQNPQEXHL-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.90
Rot. Bonds5

About N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine

N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine (PubChem CID 105009718) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
PubChem CID105009718
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCc2cccnc21)C1OCCC1C
InChIInChI=1S/C17H26N2O/c1-3-9-18-16(17-12(2)8-11-20-17)14-7-6-13-5-4-10-19-15(13)14/h4-5,10,12,14,16-18H,3,6-9,11H2,1-2H3
InChIKeyNRHMECQNPQEXHL-UHFFFAOYSA-N
XLogP2.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 105009975
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 105009683
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 102923634
N-[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 79732011
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-propylpropan-1-amine
CID 79747833
N-[(3-chloro-2-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine
CID 103444802
N-[cyclopentyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 79748352
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 79739951
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878556
N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748838
N-[2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxyethyl]propan-1-amine
CID 116723952
N-[(2-methylfuran-3-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]propan-1-amine
CID 104790380

Frequently Asked Questions

What is the IUPAC name of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine (CID 105009718) is N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine is CCCNC(C1CCc2cccnc21)C1OCCC1C.
What is the InChIKey of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine?
The InChIKey is NRHMECQNPQEXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-9-18-16(17-12(2)8-11-20-17)14-7-6-13-5-4-10-19-15(13)14/h4-5,10,12,14,16-18H,3,6-9,11H2,1-2H3.
What are the key properties of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine?
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105009718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).