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

C16H26N2O — CID 61240026

IUPACN-(furan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2NCc1ccco1
InChIInChI=1S/C16H26N2O/c1-12(2)18-10-13-5-3-6-14(11-18)16(13)17-9-15-7-4-8-19-15/h4,7-8,12-14,16-17H,3,5-6,9-11H2,1-2H3
InChIKeyAAPXXDFRYKFZQQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.88
Rot. Bonds4

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

N-(furan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (PubChem CID 61240026) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
PubChem CID61240026
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(furan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC(C)N1CC2CCCC(C1)C2NCc1ccco1
InChIInChI=1S/C16H26N2O/c1-12(2)18-10-13-5-3-6-14(11-18)16(13)17-9-15-7-4-8-19-15/h4,7-8,12-14,16-17H,3,5-6,9-11H2,1-2H3
InChIKeyAAPXXDFRYKFZQQ-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(furan-2-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 61240419
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-(2,5-dimethylpyrrol-1-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 79090823
N-[2-(5-bromothiophen-2-yl)ethyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 106043195
2-cyclohexyl-N-(furan-2-ylmethyl)cyclopropan-1-amine
CID 115655073
N-(furan-2-ylmethyl)-3-methylsulfanylcyclohexan-1-amine
CID 115633827
N-(furan-2-ylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 113224447
N-[(2-methylcyclopentyl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 107417173
1-cyclohexyl-N-(furan-2-ylmethyl)ethanamine
CID 43754928
N-(furan-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 16775468
4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine
CID 65090187

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of N-(furan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (CID 61240026) is N-(furan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is CC(C)N1CC2CCCC(C1)C2NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The InChIKey is AAPXXDFRYKFZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)18-10-13-5-3-6-14(11-18)16(13)17-9-15-7-4-8-19-15/h4,7-8,12-14,16-17H,3,5-6,9-11H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
N-(furan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine has a molecular weight of 262.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 61240026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).