2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-yl]methyl]propan-2-amine

C16H26N2O2 — CID 66369440

IUPAC2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1coc(CN2CC3CCC(C2)O3)c1
InChIInChI=1S/C16H26N2O2/c1-16(2,3)17-7-12-6-15(19-11-12)10-18-8-13-4-5-14(9-18)20-13/h6,11,13-14,17H,4-5,7-10H2,1-3H3
InChIKeyDNGBHUZJBDGQEV-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.53
Rot. Bonds4

About 2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-yl]methyl]propan-2-amine

2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-yl]methyl]propan-2-amine (PubChem CID 66369440) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-yl]methyl]propan-2-amine
PubChem CID66369440
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1coc(CN2CC3CCC(C2)O3)c1
InChIInChI=1S/C16H26N2O2/c1-16(2,3)17-7-12-6-15(19-11-12)10-18-8-13-4-5-14(9-18)20-13/h6,11,13-14,17H,4-5,7-10H2,1-3H3
InChIKeyDNGBHUZJBDGQEV-UHFFFAOYSA-N
XLogP2.53
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-yl]methyl]propan-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

2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-2-yl]methyl]propan-2-amine
CID 66370824
N-[[5-[(3-methoxypiperidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 102968121
N-[[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62432892
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-(cyclopentyloxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62444439
N-[[5-[(4-tert-butylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 62411943
N-[[5-[(4-chloropyrazol-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 55073517
N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine
CID 62422910
N-methyl-1-[5-[(3-methylpyrrolidin-1-yl)methyl]furan-3-yl]methanamine
CID 62428197
N-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62438146
N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 114540274
N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylthiolan-3-amine
CID 55074791

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-yl]methyl]propan-2-amine (CID 66369440) is 2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-yl]methyl]propan-2-amine is CC(C)(C)NCc1coc(CN2CC3CCC(C2)O3)c1.
What is the InChIKey of 2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-yl]methyl]propan-2-amine?
The InChIKey is DNGBHUZJBDGQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2,3)17-7-12-6-15(19-11-12)10-18-8-13-4-5-14(9-18)20-13/h6,11,13-14,17H,4-5,7-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-yl]methyl]propan-2-amine?
2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-yl]methyl]propan-2-amine has a molecular weight of 278.40 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 66369440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).