1-(furan-2-yl)-N-propyldodecan-3-amine

C19H35NO — CID 105124522

IUPAC1-(furan-2-yl)-N-propyldodecan-3-amine
SMILESCCCCCCCCCC(CCc1ccco1)NCCC
InChIInChI=1S/C19H35NO/c1-3-5-6-7-8-9-10-12-18(20-16-4-2)14-15-19-13-11-17-21-19/h11,13,17-18,20H,3-10,12,14-16H2,1-2H3
InChIKeyZOSBUXIBQGFVOK-UHFFFAOYSA-N
MW293.49 g/mol
LogP5.72
Rot. Bonds14

About 1-(furan-2-yl)-N-propyldodecan-3-amine

1-(furan-2-yl)-N-propyldodecan-3-amine (PubChem CID 105124522) has the molecular formula C19H35NO and a molecular weight of 293.49 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-propyldodecan-3-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-propyldodecan-3-amine
PubChem CID105124522
Molecular FormulaC19H35NO
Molecular Weight293.49 g/mol
Exact Mass293.27
IUPAC Name1-(furan-2-yl)-N-propyldodecan-3-amine
SMILESCCCCCCCCCC(CCc1ccco1)NCCC
InChIInChI=1S/C19H35NO/c1-3-5-6-7-8-9-10-12-18(20-16-4-2)14-15-19-13-11-17-21-19/h11,13,17-18,20H,3-10,12,14-16H2,1-2H3
InChIKeyZOSBUXIBQGFVOK-UHFFFAOYSA-N
XLogP5.72
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.49
LogP ≤ 55.72
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-(furan-2-yl)-N-propyldecan-2-amine
CID 105029170
1-cyclopropyl-5-(furan-2-yl)-N-propylpentan-3-amine
CID 105157945
N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419
N-propyl-1-thiophen-2-yldecan-3-amine
CID 115860884
1-(furan-2-yl)undecan-2-ylhydrazine
CID 105331486
N-ethyl-1-(furan-2-yl)-6-phenylhexan-3-amine
CID 105139753
4-(furan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)butan-2-amine
CID 105169314
1-(2-methylphenyl)-N-propyldecan-3-amine
CID 105125070
1-(furan-2-yl)-4-methyl-N-propylhexan-3-amine
CID 105170638
N-ethyl-6-ethylsulfonyl-1-(furan-2-yl)hexan-3-amine
CID 105152508
1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-propylbutan-2-amine
CID 105139656
1-(5-chloro-2-fluorophenyl)-4-(furan-2-yl)-N-propylbutan-2-amine
CID 103053057

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-propyldodecan-3-amine?
The IUPAC name of 1-(furan-2-yl)-N-propyldodecan-3-amine (CID 105124522) is 1-(furan-2-yl)-N-propyldodecan-3-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-propyldodecan-3-amine?
The canonical SMILES for 1-(furan-2-yl)-N-propyldodecan-3-amine is CCCCCCCCCC(CCc1ccco1)NCCC.
What is the InChIKey of 1-(furan-2-yl)-N-propyldodecan-3-amine?
The InChIKey is ZOSBUXIBQGFVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-3-5-6-7-8-9-10-12-18(20-16-4-2)14-15-19-13-11-17-21-19/h11,13,17-18,20H,3-10,12,14-16H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-propyldodecan-3-amine?
1-(furan-2-yl)-N-propyldodecan-3-amine has a molecular weight of 293.49 g/mol, XLogP of 5.72, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-propyldodecan-3-amine is sourced from PubChem (CID 105124522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).