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

C18H28N2O — CID 116723952

IUPACN-[2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxyethyl]propan-1-amine
SMILESCCCNC(C1CCc2cccnc21)C(OCC)C1CC1
InChIInChI=1S/C18H28N2O/c1-3-11-19-17(18(21-4-2)14-7-8-14)15-10-9-13-6-5-12-20-16(13)15/h5-6,12,14-15,17-19H,3-4,7-11H2,1-2H3
InChIKeyYBPJRMRWHCWYCG-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.29
Rot. Bonds8

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

N-[2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxyethyl]propan-1-amine (PubChem CID 116723952) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-[2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxyethyl]propan-1-amine
PubChem CID116723952
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-[2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxyethyl]propan-1-amine
SMILESCCCNC(C1CCc2cccnc21)C(OCC)C1CC1
InChIInChI=1S/C18H28N2O/c1-3-11-19-17(18(21-4-2)14-7-8-14)15-10-9-13-6-5-12-20-16(13)15/h5-6,12,14-15,17-19H,3-4,7-11H2,1-2H3
InChIKeyYBPJRMRWHCWYCG-UHFFFAOYSA-N
XLogP3.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxyethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxyethyl]propan-1-amine (CID 116723952) is N-[2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxyethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxyethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxyethyl]propan-1-amine is CCCNC(C1CCc2cccnc21)C(OCC)C1CC1.
What is the InChIKey of N-[2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxyethyl]propan-1-amine?
The InChIKey is YBPJRMRWHCWYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-11-19-17(18(21-4-2)14-7-8-14)15-10-9-13-6-5-12-20-16(13)15/h5-6,12,14-15,17-19H,3-4,7-11H2,1-2H3.
What are the key properties of N-[2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxyethyl]propan-1-amine?
N-[2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxyethyl]propan-1-amine has a molecular weight of 288.43 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxyethyl]propan-1-amine is sourced from PubChem (CID 116723952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).