N-ethyl-1-(furan-3-yl)undecan-2-amine

C17H31NO — CID 105030187

IUPACN-ethyl-1-(furan-3-yl)undecan-2-amine
SMILESCCCCCCCCCC(Cc1ccoc1)NCC
InChIInChI=1S/C17H31NO/c1-3-5-6-7-8-9-10-11-17(18-4-2)14-16-12-13-19-15-16/h12-13,15,17-18H,3-11,14H2,1-2H3
InChIKeyCHSPITRYLOFHON-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.94
Rot. Bonds12

About N-ethyl-1-(furan-3-yl)undecan-2-amine

N-ethyl-1-(furan-3-yl)undecan-2-amine (PubChem CID 105030187) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-ethyl-1-(furan-3-yl)undecan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(furan-3-yl)undecan-2-amine
PubChem CID105030187
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-ethyl-1-(furan-3-yl)undecan-2-amine
SMILESCCCCCCCCCC(Cc1ccoc1)NCC
InChIInChI=1S/C17H31NO/c1-3-5-6-7-8-9-10-11-17(18-4-2)14-16-12-13-19-15-16/h12-13,15,17-18H,3-11,14H2,1-2H3
InChIKeyCHSPITRYLOFHON-UHFFFAOYSA-N
XLogP4.94
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-1-(furan-3-yl)undecan-2-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

1-(furan-3-yl)-N-methyloctan-2-amine
CID 105029673
1-(furan-3-yl)octan-2-amine
CID 105029979
N-ethyl-1-(4-ethylphenyl)decan-2-amine
CID 115803801
N-ethyl-1-(furan-3-yl)-4-methoxybutan-2-amine
CID 83176013
4-ethoxy-N-ethyl-1-(furan-3-yl)butan-2-amine
CID 105177818
N-ethyl-1-(4-methylphenyl)nonan-2-amine
CID 63415851
N-ethyl-1-(furan-3-yl)-4-methylhexan-2-amine
CID 105029887
1-butan-2-ylsulfanyl-N-ethyl-3-(furan-3-yl)propan-2-amine
CID 83175545
N-ethyl-1-(4-iodophenyl)heptan-2-amine
CID 115864019
N-ethyl-1-(furan-3-yl)-3-propan-2-yloxypropan-2-amine
CID 105177781
1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine
CID 63420104
N-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine
CID 115842720

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(furan-3-yl)undecan-2-amine?
The IUPAC name of N-ethyl-1-(furan-3-yl)undecan-2-amine (CID 105030187) is N-ethyl-1-(furan-3-yl)undecan-2-amine.
What is the SMILES notation for N-ethyl-1-(furan-3-yl)undecan-2-amine?
The canonical SMILES for N-ethyl-1-(furan-3-yl)undecan-2-amine is CCCCCCCCCC(Cc1ccoc1)NCC.
What is the InChIKey of N-ethyl-1-(furan-3-yl)undecan-2-amine?
The InChIKey is CHSPITRYLOFHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-3-5-6-7-8-9-10-11-17(18-4-2)14-16-12-13-19-15-16/h12-13,15,17-18H,3-11,14H2,1-2H3.
What are the key properties of N-ethyl-1-(furan-3-yl)undecan-2-amine?
N-ethyl-1-(furan-3-yl)undecan-2-amine has a molecular weight of 265.44 g/mol, XLogP of 4.94, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(furan-3-yl)undecan-2-amine is sourced from PubChem (CID 105030187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).