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

C17H26N2O — CID 105009975

IUPACN-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1COC(C)C1)C1CCc2cccnc21
InChIInChI=1S/C17H26N2O/c1-3-8-18-17(14-10-12(2)20-11-14)15-7-6-13-5-4-9-19-16(13)15/h4-5,9,12,14-15,17-18H,3,6-8,10-11H2,1-2H3
InChIKeySKRDPMQJELEZSZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.90
Rot. Bonds5

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

N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine (PubChem CID 105009975) 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-(5-methyloxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine
PubChem CID105009975
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(C1COC(C)C1)C1CCc2cccnc21
InChIInChI=1S/C17H26N2O/c1-3-8-18-17(14-10-12(2)20-11-14)15-7-6-13-5-4-9-19-16(13)15/h4-5,9,12,14-15,17-18H,3,6-8,10-11H2,1-2H3
InChIKeySKRDPMQJELEZSZ-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-(5-methyloxolan-3-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105009718
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methyloxolan-3-yl)methanol
CID 115819461
N-[cyclopentyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 79748352
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethylcyclohexyl)methyl]ethanamine
CID 79740041
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 79739951
N-[2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxyethyl]propan-1-amine
CID 116723952
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 105009602
N-[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 79732011
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 102923634
N-[(3-chloro-2-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine
CID 103444802
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxy-N-propylpropan-1-amine
CID 79747833
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878556

Frequently Asked Questions

What is the IUPAC name of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine (CID 105009975) is N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine is CCCNC(C1COC(C)C1)C1CCc2cccnc21.
What is the InChIKey of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine?
The InChIKey is SKRDPMQJELEZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-8-18-17(14-10-12(2)20-11-14)15-7-6-13-5-4-9-19-16(13)15/h4-5,9,12,14-15,17-18H,3,6-8,10-11H2,1-2H3.
What are the key properties of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine?
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methyloxolan-3-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-(5-methyloxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 105009975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).