N-[3-(furan-2-ylmethoxy)propyl]bicyclo[2.2.1]heptan-2-amine

C15H23NO2 — CID 61308016

IUPACN-[3-(furan-2-ylmethoxy)propyl]bicyclo[2.2.1]heptan-2-amine
SMILESc1coc(COCCCNC2CC3CCC2C3)c1
InChIInChI=1S/C15H23NO2/c1-3-14(18-8-1)11-17-7-2-6-16-15-10-12-4-5-13(15)9-12/h1,3,8,12-13,15-16H,2,4-7,9-11H2
InChIKeyCYHJSGVLFDMDQE-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.96
Rot. Bonds7

About N-[3-(furan-2-ylmethoxy)propyl]bicyclo[2.2.1]heptan-2-amine

N-[3-(furan-2-ylmethoxy)propyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 61308016) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxy)propyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxy)propyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID61308016
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[3-(furan-2-ylmethoxy)propyl]bicyclo[2.2.1]heptan-2-amine
SMILESc1coc(COCCCNC2CC3CCC2C3)c1
InChIInChI=1S/C15H23NO2/c1-3-14(18-8-1)11-17-7-2-6-16-15-10-12-4-5-13(15)9-12/h1,3,8,12-13,15-16H,2,4-7,9-11H2
InChIKeyCYHJSGVLFDMDQE-UHFFFAOYSA-N
XLogP2.96
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(furan-2-ylmethoxy)propyl]-2-methylthiolan-3-amine
CID 102671412
N-[3-(furan-2-ylmethoxy)propyl]-1-methylpiperidin-4-amine
CID 28681139
N-(3-ethoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 61308200
N-[3-(furan-2-ylmethoxy)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753620
N-(cyclopentylmethyl)-3-(furan-2-ylmethoxy)propan-1-amine
CID 62071034
(1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 6594927
5-chloro-N-[3-(furan-2-ylmethoxy)propyl]-2,3-dihydro-1H-inden-1-amine
CID 81296849
N-[3-(furan-2-ylmethoxy)propyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 81296847
N-[3-(furan-2-ylmethoxy)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43096825
1-(2-bicyclo[2.2.1]heptanyl)-2-(4-ethoxybutyl)-3-[2-(furan-2-yl)ethyl]guanidine
CID 111842356
N-[3-(furan-2-ylmethoxy)propyl]-4-propylcycloheptan-1-amine
CID 65087332
N-[3-(furan-2-ylmethoxy)propyl]-5,5-dimethylthian-3-amine
CID 79956139

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]bicyclo[2.2.1]heptan-2-amine (CID 61308016) is N-[3-(furan-2-ylmethoxy)propyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[3-(furan-2-ylmethoxy)propyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[3-(furan-2-ylmethoxy)propyl]bicyclo[2.2.1]heptan-2-amine is c1coc(COCCCNC2CC3CCC2C3)c1.
What is the InChIKey of N-[3-(furan-2-ylmethoxy)propyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is CYHJSGVLFDMDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-14(18-8-1)11-17-7-2-6-16-15-10-12-4-5-13(15)9-12/h1,3,8,12-13,15-16H,2,4-7,9-11H2.
What are the key properties of N-[3-(furan-2-ylmethoxy)propyl]bicyclo[2.2.1]heptan-2-amine?
N-[3-(furan-2-ylmethoxy)propyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 249.35 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxy)propyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 61308016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).