1-(furan-3-yl)octan-2-amine

C12H21NO — CID 105029979

IUPAC1-(furan-3-yl)octan-2-amine
SMILESCCCCCCC(N)Cc1ccoc1
InChIInChI=1S/C12H21NO/c1-2-3-4-5-6-12(13)9-11-7-8-14-10-11/h7-8,10,12H,2-6,9,13H2,1H3
InChIKeyWUULZQAWDKMTFG-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.12
Rot. Bonds7

About 1-(furan-3-yl)octan-2-amine

1-(furan-3-yl)octan-2-amine (PubChem CID 105029979) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(furan-3-yl)octan-2-amine.

Molecular Properties

Compound Name1-(furan-3-yl)octan-2-amine
PubChem CID105029979
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(furan-3-yl)octan-2-amine
SMILESCCCCCCC(N)Cc1ccoc1
InChIInChI=1S/C12H21NO/c1-2-3-4-5-6-12(13)9-11-7-8-14-10-11/h7-8,10,12H,2-6,9,13H2,1H3
InChIKeyWUULZQAWDKMTFG-UHFFFAOYSA-N
XLogP3.12
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(furan-3-yl)octan-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

N-ethyl-1-(furan-3-yl)undecan-2-amine
CID 105030187
1-(furan-3-yl)-N-methyloctan-2-amine
CID 105029673
4-ethoxy-1-(furan-3-yl)butan-2-amine
CID 105177800
3-octylfuran
CID 12700162
3-undecylfuran
CID 13123134
1-(4-ethylphenyl)undecan-2-amine
CID 115803351
1-(furan-3-yl)-3-methylhexan-2-amine
CID 105029905
4-(2-aminooctyl)phenol
CID 69403996
1-(4-fluorophenyl)undecan-2-amine
CID 63412478
1-(4-fluorophenyl)octan-2-amine
CID 62600868
1-(4-tert-butylphenyl)octan-2-amine
CID 115842872
1-(3,5-dimethylphenyl)undecan-2-amine
CID 63416207

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)octan-2-amine?
The IUPAC name of 1-(furan-3-yl)octan-2-amine (CID 105029979) is 1-(furan-3-yl)octan-2-amine.
What is the SMILES notation for 1-(furan-3-yl)octan-2-amine?
The canonical SMILES for 1-(furan-3-yl)octan-2-amine is CCCCCCC(N)Cc1ccoc1.
What is the InChIKey of 1-(furan-3-yl)octan-2-amine?
The InChIKey is WUULZQAWDKMTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-3-4-5-6-12(13)9-11-7-8-14-10-11/h7-8,10,12H,2-6,9,13H2,1H3.
What are the key properties of 1-(furan-3-yl)octan-2-amine?
1-(furan-3-yl)octan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)octan-2-amine is sourced from PubChem (CID 105029979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).