N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine

C14H25NO — CID 81403081

IUPACN-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine
SMILESCCCCCCCCN[C@H](C)c1ccco1
InChIInChI=1S/C14H25NO/c1-3-4-5-6-7-8-11-15-13(2)14-10-9-12-16-14/h9-10,12-13,15H,3-8,11H2,1-2H3/t13-/m1/s1
InChIKeyFLEFNKLZOROHKW-CYBMUJFWSA-N
MW223.36 g/mol
LogP4.29
Rot. Bonds9

About N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine

N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine (PubChem CID 81403081) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine
PubChem CID81403081
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine
SMILESCCCCCCCCN[C@H](C)c1ccco1
InChIInChI=1S/C14H25NO/c1-3-4-5-6-7-8-11-15-13(2)14-10-9-12-16-14/h9-10,12-13,15H,3-8,11H2,1-2H3/t13-/m1/s1
InChIKeyFLEFNKLZOROHKW-CYBMUJFWSA-N
XLogP4.29
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(furan-2-yl)ethyl]nonan-1-amine
CID 43535684
3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
CID 28714744
N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine
CID 60889681
5-[1-(furan-2-yl)ethylamino]pentanenitrile
CID 60698105
N-[1-(furan-2-yl)ethyl]-4-phenylbutan-1-amine
CID 115708089
N'-butyl-N'-ethyl-N-[1-(furan-2-yl)ethyl]ethane-1,2-diamine
CID 62575573
4-[[(1S)-1-(furan-2-yl)ethyl]amino]butanenitrile
CID 81401126
N-[1-(furan-2-yl)ethyl]-3-methoxypropan-1-amine
CID 43205063
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-propylethane-1,2-diamine
CID 62560734
(1S)-N-(2-ethoxyethyl)-1-(furan-2-yl)ethanamine
CID 81399975
1-(furan-2-yl)-N-(2-pentan-2-yloxyethyl)ethanamine
CID 102987416
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine (CID 81403081) is N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine is CCCCCCCCN[C@H](C)c1ccco1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine?
The InChIKey is FLEFNKLZOROHKW-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-4-5-6-7-8-11-15-13(2)14-10-9-12-16-14/h9-10,12-13,15H,3-8,11H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine?
N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine is sourced from PubChem (CID 81403081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).