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

C18H30N2O — CID 65322579

IUPACN-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(CN2CCCC3CCCC32)o1
InChIInChI=1S/C18H30N2O/c1-18(2,3)19-12-15-9-10-16(21-15)13-20-11-5-7-14-6-4-8-17(14)20/h9-10,14,17,19H,4-8,11-13H2,1-3H3
InChIKeyXJFGWVXYBLWDME-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.93
Rot. Bonds4

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

N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 65322579) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID65322579
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(CN2CCCC3CCCC32)o1
InChIInChI=1S/C18H30N2O/c1-18(2,3)19-12-15-9-10-16(21-15)13-20-11-5-7-14-6-4-8-17(14)20/h9-10,14,17,19H,4-8,11-13H2,1-3H3
InChIKeyXJFGWVXYBLWDME-UHFFFAOYSA-N
XLogP3.93
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.93
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-2-yl]methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-2-yl]-N-methylmethanamine
CID 65324762
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-2-carbohydrazide
CID 65322215
[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methanamine
CID 82750611
2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-2-yl]methyl]propan-2-amine
CID 66370824
N-[[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 82753136
2-methyl-N-[[5-(1,4-thiazepan-4-ylmethyl)furan-2-yl]methyl]propan-2-amine
CID 62411694
N-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62436042
N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 65324282
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-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 106965699
N-[[5-(2,3-dihydroindol-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62425759
2-methyl-N-[[5-[(2-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 62440062

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-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine (CID 65322579) is N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(CN2CCCC3CCCC32)o1.
What is the InChIKey of N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is XJFGWVXYBLWDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-18(2,3)19-12-15-9-10-16(21-15)13-20-11-5-7-14-6-4-8-17(14)20/h9-10,14,17,19H,4-8,11-13H2,1-3H3.
What are the key properties of N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.93, 4 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-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65322579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).