N-[1-(furan-2-yl)propan-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C16H26N2O — CID 65472160

IUPACN-[1-(furan-2-yl)propan-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(Cc1ccco1)NC1CC2CCCC(C1)N2C
InChIInChI=1S/C16H26N2O/c1-12(9-16-7-4-8-19-16)17-13-10-14-5-3-6-15(11-13)18(14)2/h4,7-8,12-15,17H,3,5-6,9-11H2,1-2H3
InChIKeyWGBAMPRJGVIFSQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.82
Rot. Bonds4

About N-[1-(furan-2-yl)propan-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

N-[1-(furan-2-yl)propan-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 65472160) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID65472160
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC(Cc1ccco1)NC1CC2CCCC(C1)N2C
InChIInChI=1S/C16H26N2O/c1-12(9-16-7-4-8-19-16)17-13-10-14-5-3-6-15(11-13)18(14)2/h4,7-8,12-15,17H,3,5-6,9-11H2,1-2H3
InChIKeyWGBAMPRJGVIFSQ-UHFFFAOYSA-N
XLogP2.82
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(furan-2-yl)propan-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine with MolForge

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]-4-methylcycloheptan-1-amine
CID 65081351
3-ethoxy-N-[1-(furan-2-yl)propan-2-yl]cyclobutan-1-amine
CID 112553035
4-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1,4-diamine
CID 63086190
N-(1-cyclopentylethyl)-1-(furan-2-yl)propan-2-amine
CID 62634085
2-(furan-2-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 112681201
4-[1-(furan-2-yl)propan-2-ylamino]cyclohexane-1-carboxamide
CID 55181509
N-butan-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471043
N-ethyl-9-[2-(furan-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713661
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
N-[1-(furan-2-yl)propan-2-yl]piperidin-1-amine
CID 83006470
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(furan-2-yl)propan-2-amine
CID 79078659
N-ethyl-9-(furan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712896

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 65472160) is N-[1-(furan-2-yl)propan-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CC(Cc1ccco1)NC1CC2CCCC(C1)N2C.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is WGBAMPRJGVIFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(9-16-7-4-8-19-16)17-13-10-14-5-3-6-15(11-13)18(14)2/h4,7-8,12-15,17H,3,5-6,9-11H2,1-2H3.
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-[1-(furan-2-yl)propan-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 65472160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).