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

C17H28N2O — CID 65324282

IUPACN-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1coc(CN2CCCC3CCCC32)c1
InChIInChI=1S/C17H28N2O/c1-13(2)18-10-14-9-16(20-12-14)11-19-8-4-6-15-5-3-7-17(15)19/h9,12-13,15,17-18H,3-8,10-11H2,1-2H3
InChIKeyDSVPIEAPYAIZSA-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.54
Rot. Bonds5

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

N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-3-yl]methyl]propan-2-amine (PubChem CID 65324282) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-3-yl]methyl]propan-2-amine
PubChem CID65324282
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1coc(CN2CCCC3CCCC32)c1
InChIInChI=1S/C17H28N2O/c1-13(2)18-10-14-9-16(20-12-14)11-19-8-4-6-15-5-3-7-17(15)19/h9,12-13,15,17-18H,3-8,10-11H2,1-2H3
InChIKeyDSVPIEAPYAIZSA-UHFFFAOYSA-N
XLogP3.54
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62420838
N-[[5-[(2-ethylazepan-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 104692369
N-[[5-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 55069819
N-[[5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62413116
N-[[5-[(3-ethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62433044
N-[[5-[(3-ethylmorpholin-4-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 55074188
N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 114540274
N-[[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]furan-2-yl]methyl]propan-2-amine
CID 102728475
N-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62412948
N-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62435863
N-[[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62412126
N-[[5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 114460865

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-3-yl]methyl]propan-2-amine (CID 65324282) is N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-3-yl]methyl]propan-2-amine is CC(C)NCc1coc(CN2CCCC3CCCC32)c1.
What is the InChIKey of N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-3-yl]methyl]propan-2-amine?
The InChIKey is DSVPIEAPYAIZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)18-10-14-9-16(20-12-14)11-19-8-4-6-15-5-3-7-17(15)19/h9,12-13,15,17-18H,3-8,10-11H2,1-2H3.
What are the key properties of N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-3-yl]methyl]propan-2-amine?
N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-3-yl]methyl]propan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 65324282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).