1-(2,3-dihydrofuran-5-yl)-N-propylhexan-1-amine

C13H25NO — CID 102653741

IUPAC1-(2,3-dihydrofuran-5-yl)-N-propylhexan-1-amine
SMILESCCCCCC(NCCC)C1=CCCO1
InChIInChI=1S/C13H25NO/c1-3-5-6-8-12(14-10-4-2)13-9-7-11-15-13/h9,12,14H,3-8,10-11H2,1-2H3
InChIKeyHBVXWWOZJMQRIS-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.24
Rot. Bonds8

About 1-(2,3-dihydrofuran-5-yl)-N-propylhexan-1-amine

1-(2,3-dihydrofuran-5-yl)-N-propylhexan-1-amine (PubChem CID 102653741) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-N-propylhexan-1-amine
PubChem CID102653741
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(2,3-dihydrofuran-5-yl)-N-propylhexan-1-amine
SMILESCCCCCC(NCCC)C1=CCCO1
InChIInChI=1S/C13H25NO/c1-3-5-6-8-12(14-10-4-2)13-9-7-11-15-13/h9,12,14H,3-8,10-11H2,1-2H3
InChIKeyHBVXWWOZJMQRIS-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.24
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

1-(2,3-dihydrofuran-5-yl)-N-ethyldodecan-1-amine
CID 102653271
1-(2,3-dihydrofuran-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 102651881
N-[1-(2,3-dihydrofuran-5-yl)-2-(3,5-dimethylphenyl)ethyl]propan-1-amine
CID 102651437
1-(3,4-dihydro-2H-pyran-6-yl)-3-propoxy-N-propylpropan-1-amine
CID 102649291
N-[1-(2,3-dihydrofuran-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 102652133
N-[2-(2-chlorophenyl)-1-(2,3-dihydrofuran-5-yl)ethyl]propan-1-amine
CID 102651394
N-[1-(2,3-dihydrofuran-5-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103559989
N-[1-(2,3-dihydrofuran-5-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 102651341
N-[2,3-dihydrofuran-5-yl(furan-2-yl)methyl]propan-1-amine
CID 102651455
1-(3,4-dihydro-2H-pyran-6-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148720
1-(2,3-dihydrofuran-5-yl)-2-methoxy-N-propylpropan-1-amine
CID 102651913
N-[2,3-dihydrofuran-5-yl-(2,3,4,5,6-pentafluorophenyl)methyl]propan-1-amine
CID 102653283

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-N-propylhexan-1-amine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-N-propylhexan-1-amine (CID 102653741) is 1-(2,3-dihydrofuran-5-yl)-N-propylhexan-1-amine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-N-propylhexan-1-amine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-N-propylhexan-1-amine is CCCCCC(NCCC)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-N-propylhexan-1-amine?
The InChIKey is HBVXWWOZJMQRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-5-6-8-12(14-10-4-2)13-9-7-11-15-13/h9,12,14H,3-8,10-11H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-N-propylhexan-1-amine?
1-(2,3-dihydrofuran-5-yl)-N-propylhexan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-N-propylhexan-1-amine is sourced from PubChem (CID 102653741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).