1-(furan-3-yl)-3-methylidene-N-propylpentan-1-amine

C13H21NO — CID 66039717

IUPAC1-(furan-3-yl)-3-methylidene-N-propylpentan-1-amine
SMILESC=C(CC)CC(NCCC)c1ccoc1
InChIInChI=1S/C13H21NO/c1-4-7-14-13(9-11(3)5-2)12-6-8-15-10-12/h6,8,10,13-14H,3-5,7,9H2,1-2H3
InChIKeyUWUIREZCVZINRI-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.68
Rot. Bonds7

About 1-(furan-3-yl)-3-methylidene-N-propylpentan-1-amine

1-(furan-3-yl)-3-methylidene-N-propylpentan-1-amine (PubChem CID 66039717) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(furan-3-yl)-3-methylidene-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(furan-3-yl)-3-methylidene-N-propylpentan-1-amine
PubChem CID66039717
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(furan-3-yl)-3-methylidene-N-propylpentan-1-amine
SMILESC=C(CC)CC(NCCC)c1ccoc1
InChIInChI=1S/C13H21NO/c1-4-7-14-13(9-11(3)5-2)12-6-8-15-10-12/h6,8,10,13-14H,3-5,7,9H2,1-2H3
InChIKeyUWUIREZCVZINRI-UHFFFAOYSA-N
XLogP3.68
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(furan-3-yl)-3-methylidenepentyl]hydrazine
CID 105221421
3-methylidene-1-(4-methylsulfanylphenyl)-N-propylpentan-1-amine
CID 105005861
1-(furan-3-yl)-3-methylidenepentan-1-amine
CID 66039477
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylidene-N-propylpentan-1-amine
CID 105005676
1-[4-(difluoromethoxy)phenyl]-3-methylidene-N-propylpentan-1-amine
CID 105005864
1-(furan-3-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103027176
3-methylidene-N-propyl-1-thiophen-2-ylpentan-1-amine
CID 66046737
N-[2,2-difluoro-1-(furan-3-yl)ethyl]propan-1-amine
CID 103759862
[1-(furan-3-yl)-3-methylbut-3-enyl]hydrazine
CID 105221417
N-[2-(2-fluorophenyl)-1-(furan-3-yl)ethyl]propan-1-amine
CID 61064181
1-(2,5-dimethylpyrazol-3-yl)-3-methylidene-N-propylpentan-1-amine
CID 105164051
N-[2-(4-chlorophenoxy)-1-(furan-3-yl)ethyl]propan-1-amine
CID 105146820

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-3-methylidene-N-propylpentan-1-amine?
The IUPAC name of 1-(furan-3-yl)-3-methylidene-N-propylpentan-1-amine (CID 66039717) is 1-(furan-3-yl)-3-methylidene-N-propylpentan-1-amine.
What is the SMILES notation for 1-(furan-3-yl)-3-methylidene-N-propylpentan-1-amine?
The canonical SMILES for 1-(furan-3-yl)-3-methylidene-N-propylpentan-1-amine is C=C(CC)CC(NCCC)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-3-methylidene-N-propylpentan-1-amine?
The InChIKey is UWUIREZCVZINRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-7-14-13(9-11(3)5-2)12-6-8-15-10-12/h6,8,10,13-14H,3-5,7,9H2,1-2H3.
What are the key properties of 1-(furan-3-yl)-3-methylidene-N-propylpentan-1-amine?
1-(furan-3-yl)-3-methylidene-N-propylpentan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 3.68, 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)-3-methylidene-N-propylpentan-1-amine is sourced from PubChem (CID 66039717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).