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

C17H28N2O — CID 61240419

IUPACN-[2-(furan-2-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2NCCc1ccco1
InChIInChI=1S/C17H28N2O/c1-13(2)19-11-14-5-3-6-15(12-19)17(14)18-9-8-16-7-4-10-20-16/h4,7,10,13-15,17-18H,3,5-6,8-9,11-12H2,1-2H3
InChIKeyWVXHXYNLSDDEDR-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.92
Rot. Bonds5

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

N-[2-(furan-2-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (PubChem CID 61240419) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
PubChem CID61240419
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[2-(furan-2-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2NCCc1ccco1
InChIInChI=1S/C17H28N2O/c1-13(2)19-11-14-5-3-6-15(12-19)17(14)18-9-8-16-7-4-10-20-16/h4,7,10,13-15,17-18H,3,5-6,8-9,11-12H2,1-2H3
InChIKeyWVXHXYNLSDDEDR-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 61240026
N-[2-(5-bromothiophen-2-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 106043195
N-[2-(furan-2-yl)ethyl]-4-methylcycloheptan-1-amine
CID 65080639
3-propan-2-yl-N-(3-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.3.1]nonan-9-amine
CID 61240803
N-(2,5-dimethylpyrrol-1-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 79090823
N-[2-(furan-2-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 45244247
3-propan-2-yl-N-(thiophen-3-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-amine
CID 63247931
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 62569548
N-[2-(furan-2-yl)ethyl]-4-propylcycloheptan-1-amine
CID 65086403
N-[2-(furan-2-yl)ethyl]-2-methylthian-3-amine
CID 79957454
2-[2-(furan-2-yl)ethylamino]cyclopentane-1-carbonitrile
CID 62741692
N,N-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide
CID 61240808

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (CID 61240419) is N-[2-(furan-2-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is CC(C)N1CC2CCCC(C1)C2NCCc1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The InChIKey is WVXHXYNLSDDEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)19-11-14-5-3-6-15(12-19)17(14)18-9-8-16-7-4-10-20-16/h4,7,10,13-15,17-18H,3,5-6,8-9,11-12H2,1-2H3.
What are the key properties of N-[2-(furan-2-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
N-[2-(furan-2-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine has a molecular weight of 276.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 61240419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).