N-propyl-1-(2,4,5-trimethylfuran-3-yl)nonan-1-amine

C19H35NO — CID 115835826

IUPACN-propyl-1-(2,4,5-trimethylfuran-3-yl)nonan-1-amine
SMILESCCCCCCCCC(NCCC)c1c(C)oc(C)c1C
InChIInChI=1S/C19H35NO/c1-6-8-9-10-11-12-13-18(20-14-7-2)19-15(3)16(4)21-17(19)5/h18,20H,6-14H2,1-5H3
InChIKeyRMZVKKHCMMZPDL-UHFFFAOYSA-N
MW293.50 g/mol
LogP6.00
Rot. Bonds11

About N-propyl-1-(2,4,5-trimethylfuran-3-yl)nonan-1-amine

N-propyl-1-(2,4,5-trimethylfuran-3-yl)nonan-1-amine (PubChem CID 115835826) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is N-propyl-1-(2,4,5-trimethylfuran-3-yl)nonan-1-amine.

Molecular Properties

Compound NameN-propyl-1-(2,4,5-trimethylfuran-3-yl)nonan-1-amine
PubChem CID115835826
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC NameN-propyl-1-(2,4,5-trimethylfuran-3-yl)nonan-1-amine
SMILESCCCCCCCCC(NCCC)c1c(C)oc(C)c1C
InChIInChI=1S/C19H35NO/c1-6-8-9-10-11-12-13-18(20-14-7-2)19-15(3)16(4)21-17(19)5/h18,20H,6-14H2,1-5H3
InChIKeyRMZVKKHCMMZPDL-UHFFFAOYSA-N
XLogP6.00
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.50
LogP ≤ 56.00
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

4-ethylsulfonyl-N-propyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
CID 104986249
1-(4,5-dimethylfuran-2-yl)-N-propylheptan-1-amine
CID 114249134
1-(2,3,4,5,6-pentafluorophenyl)-N-propylhexan-1-amine
CID 115837064
1-(2,6-dichlorophenyl)-N-propylnonan-1-amine
CID 115835319
1-(3,5-dimethylphenyl)-N-propyloctan-1-amine
CID 115796817
N-ethyl-4-ethylsulfonyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
CID 115865157
N-methyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
CID 114982292
N-[2-(5-chlorothiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]propan-1-amine
CID 115841861
1-(3,4-dihydro-2H-pyran-5-yl)-N-propylnonan-1-amine
CID 105033094
N-propyl-1-thiophen-3-yloctan-1-amine
CID 63412772
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine
CID 61336142
1-(4-chlorophenyl)-N-propyloctan-1-amine
CID 43494757

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(2,4,5-trimethylfuran-3-yl)nonan-1-amine?
The IUPAC name of N-propyl-1-(2,4,5-trimethylfuran-3-yl)nonan-1-amine (CID 115835826) is N-propyl-1-(2,4,5-trimethylfuran-3-yl)nonan-1-amine.
What is the SMILES notation for N-propyl-1-(2,4,5-trimethylfuran-3-yl)nonan-1-amine?
The canonical SMILES for N-propyl-1-(2,4,5-trimethylfuran-3-yl)nonan-1-amine is CCCCCCCCC(NCCC)c1c(C)oc(C)c1C.
What is the InChIKey of N-propyl-1-(2,4,5-trimethylfuran-3-yl)nonan-1-amine?
The InChIKey is RMZVKKHCMMZPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-6-8-9-10-11-12-13-18(20-14-7-2)19-15(3)16(4)21-17(19)5/h18,20H,6-14H2,1-5H3.
What are the key properties of N-propyl-1-(2,4,5-trimethylfuran-3-yl)nonan-1-amine?
N-propyl-1-(2,4,5-trimethylfuran-3-yl)nonan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 6.00, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(2,4,5-trimethylfuran-3-yl)nonan-1-amine is sourced from PubChem (CID 115835826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).