N-[1-(3-methylfuran-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

C14H21NO — CID 115891281

IUPACN-[1-(3-methylfuran-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1ccoc1C(C)NC1CC2CCC1C2
InChIInChI=1S/C14H21NO/c1-9-5-6-16-14(9)10(2)15-13-8-11-3-4-12(13)7-11/h5-6,10-13,15H,3-4,7-8H2,1-2H3
InChIKeyRQOHRJOHWUASRC-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.43
Rot. Bonds3

About N-[1-(3-methylfuran-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

N-[1-(3-methylfuran-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 115891281) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[1-(3-methylfuran-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[1-(3-methylfuran-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID115891281
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[1-(3-methylfuran-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1ccoc1C(C)NC1CC2CCC1C2
InChIInChI=1S/C14H21NO/c1-9-5-6-16-14(9)10(2)15-13-8-11-3-4-12(13)7-11/h5-6,10-13,15H,3-4,7-8H2,1-2H3
InChIKeyRQOHRJOHWUASRC-UHFFFAOYSA-N
XLogP3.43
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(3-methylfuran-2-yl)ethylamino]oxolan-3-ol
CID 115923427
N-[1-(4-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 61309333
1-cyclopropyl-N-[1-(3-methylfuran-2-yl)ethyl]ethanamine
CID 115888793
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 65196991
(1S,2S,4S)-N-[(2R)-3-methylbutan-2-yl]bicyclo[2.2.1]heptan-2-amine
CID 124526685
N-[1-(4-bromothiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 107354397
N-(1-cyclopropylethyl)bicyclo[2.2.1]heptan-2-amine
CID 61308965
(1R,2R,4R)-N-[(2R)-1-phenylpropan-2-yl]bicyclo[2.2.1]heptan-2-amine
CID 98111949
N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309908
(1S,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526668
(1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526666
(2R)-4-methyl-1-[[(1R)-1-(3-methylfuran-2-yl)ethyl]amino]pentan-2-ol
CID 97101602

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylfuran-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[1-(3-methylfuran-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (CID 115891281) is N-[1-(3-methylfuran-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[1-(3-methylfuran-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[1-(3-methylfuran-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is Cc1ccoc1C(C)NC1CC2CCC1C2.
What is the InChIKey of N-[1-(3-methylfuran-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is RQOHRJOHWUASRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9-5-6-16-14(9)10(2)15-13-8-11-3-4-12(13)7-11/h5-6,10-13,15H,3-4,7-8H2,1-2H3.
What are the key properties of N-[1-(3-methylfuran-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
N-[1-(3-methylfuran-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylfuran-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 115891281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).