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

C18H24N2O — CID 105009683

IUPACN-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)oc1C)C1CCc2cccnc21
InChIInChI=1S/C18H24N2O/c1-4-9-19-18(16-11-12(2)21-13(16)3)15-8-7-14-6-5-10-20-17(14)15/h5-6,10-11,15,18-19H,4,7-9H2,1-3H3
InChIKeyKPNKUKXDOJTYRY-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.06
Rot. Bonds5

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

N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine (PubChem CID 105009683) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
PubChem CID105009683
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)oc1C)C1CCc2cccnc21
InChIInChI=1S/C18H24N2O/c1-4-9-19-18(16-11-12(2)21-13(16)3)15-8-7-14-6-5-10-20-17(14)15/h5-6,10-11,15,18-19H,4,7-9H2,1-3H3
InChIKeyKPNKUKXDOJTYRY-UHFFFAOYSA-N
XLogP4.06
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878556
N-[(2-methylfuran-3-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]propan-1-amine
CID 104790380
N-[(3-chloro-4-pyridinyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]propan-1-amine
CID 105166117
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
N-[(5-chlorofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]propan-1-amine
CID 106692530
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 79748308
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105009718
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 105009812
N-[(5-bromofuran-2-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 105009872
N-[(3-bromo-2-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methyl]ethanamine
CID 105009686
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methylphenyl)methyl]ethanamine
CID 79748587

Frequently Asked Questions

What is the IUPAC name of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine (CID 105009683) is N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine is CCCNC(c1cc(C)oc1C)C1CCc2cccnc21.
What is the InChIKey of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine?
The InChIKey is KPNKUKXDOJTYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-9-19-18(16-11-12(2)21-13(16)3)15-8-7-14-6-5-10-20-17(14)15/h5-6,10-11,15,18-19H,4,7-9H2,1-3H3.
What are the key properties of N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine?
N-[6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 4.06, 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-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 105009683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).