1-(furan-3-yl)-N-methyloctan-2-amine

C13H23NO — CID 105029673

IUPAC1-(furan-3-yl)-N-methyloctan-2-amine
SMILESCCCCCCC(Cc1ccoc1)NC
InChIInChI=1S/C13H23NO/c1-3-4-5-6-7-13(14-2)10-12-8-9-15-11-12/h8-9,11,13-14H,3-7,10H2,1-2H3
InChIKeyQJJUNOAKOPWSCX-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.38
Rot. Bonds8

About 1-(furan-3-yl)-N-methyloctan-2-amine

1-(furan-3-yl)-N-methyloctan-2-amine (PubChem CID 105029673) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-methyloctan-2-amine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-methyloctan-2-amine
PubChem CID105029673
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(furan-3-yl)-N-methyloctan-2-amine
SMILESCCCCCCC(Cc1ccoc1)NC
InChIInChI=1S/C13H23NO/c1-3-4-5-6-7-13(14-2)10-12-8-9-15-11-12/h8-9,11,13-14H,3-7,10H2,1-2H3
InChIKeyQJJUNOAKOPWSCX-UHFFFAOYSA-N
XLogP3.38
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(furan-3-yl)undecan-2-amine
CID 105030187
1-(furan-3-yl)octan-2-amine
CID 105029979
N-methyl-1-phenyldecan-2-amine
CID 63412341
N-methyl-1-pyridin-4-yldecan-2-amine
CID 62605644
1-(4-iodophenyl)-N-methylnonan-2-amine
CID 115864388
1-(4-methoxyphenyl)-N-methyldecan-2-amine
CID 63416962
3-octylfuran
CID 12700162
N-methyl-1-[4-(trifluoromethyl)phenyl]octan-2-amine
CID 114752994
1-(3,4-dichlorophenyl)-N-methylnonan-2-amine
CID 55186629
1-(3-fluorophenyl)-N-methylundecan-2-amine
CID 63417215
N-methyl-1-pyridin-3-yldodecan-2-amine
CID 63416247
1-(3-chlorophenyl)-N-methyldodecan-2-amine
CID 63412373

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-methyloctan-2-amine?
The IUPAC name of 1-(furan-3-yl)-N-methyloctan-2-amine (CID 105029673) is 1-(furan-3-yl)-N-methyloctan-2-amine.
What is the SMILES notation for 1-(furan-3-yl)-N-methyloctan-2-amine?
The canonical SMILES for 1-(furan-3-yl)-N-methyloctan-2-amine is CCCCCCC(Cc1ccoc1)NC.
What is the InChIKey of 1-(furan-3-yl)-N-methyloctan-2-amine?
The InChIKey is QJJUNOAKOPWSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-4-5-6-7-13(14-2)10-12-8-9-15-11-12/h8-9,11,13-14H,3-7,10H2,1-2H3.
What are the key properties of 1-(furan-3-yl)-N-methyloctan-2-amine?
1-(furan-3-yl)-N-methyloctan-2-amine has a molecular weight of 209.33 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-methyloctan-2-amine is sourced from PubChem (CID 105029673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).