1-(5-methylfuran-3-yl)-N-propylbut-3-en-1-amine

C12H19NO — CID 115814330

IUPAC1-(5-methylfuran-3-yl)-N-propylbut-3-en-1-amine
SMILESC=CCC(NCCC)c1coc(C)c1
InChIInChI=1S/C12H19NO/c1-4-6-12(13-7-5-2)11-8-10(3)14-9-11/h4,8-9,12-13H,1,5-7H2,2-3H3
InChIKeyQIJVLFKBSDKXJW-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.20
Rot. Bonds6

About 1-(5-methylfuran-3-yl)-N-propylbut-3-en-1-amine

1-(5-methylfuran-3-yl)-N-propylbut-3-en-1-amine (PubChem CID 115814330) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(5-methylfuran-3-yl)-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(5-methylfuran-3-yl)-N-propylbut-3-en-1-amine
PubChem CID115814330
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(5-methylfuran-3-yl)-N-propylbut-3-en-1-amine
SMILESC=CCC(NCCC)c1coc(C)c1
InChIInChI=1S/C12H19NO/c1-4-6-12(13-7-5-2)11-8-10(3)14-9-11/h4,8-9,12-13H,1,5-7H2,2-3H3
InChIKeyQIJVLFKBSDKXJW-UHFFFAOYSA-N
XLogP3.20
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.20
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-(2,6-dimethyl-4-pyridinyl)-N-propylbut-3-en-1-amine
CID 107503998
3-methyl-1-(5-methylfuran-3-yl)-N-propylpentan-1-amine
CID 115846210
1-(3,5-dibromophenyl)-N-propylbut-3-en-1-amine
CID 107973949
1-(3,5-dichlorophenyl)-N-propylbut-3-en-1-amine
CID 115815027
4-ethylsulfonyl-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine
CID 115865314
1-(2-methyl-4-pyridinyl)-N-propylbut-3-en-1-amine
CID 106754991
4-methoxy-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine
CID 105054890
1-(6-bromonaphthalen-2-yl)-N-propylbut-3-en-1-amine
CID 115814812
1-(3-bromofuran-2-yl)-N-propylbut-3-en-1-amine
CID 116660927
N-[2-(4-fluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 114821262
N-[2-(3,4-dichlorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 114821315
N-[2-(3,4-difluorophenyl)-1-(5-methylfuran-3-yl)ethyl]propan-1-amine
CID 114821327

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-3-yl)-N-propylbut-3-en-1-amine?
The IUPAC name of 1-(5-methylfuran-3-yl)-N-propylbut-3-en-1-amine (CID 115814330) is 1-(5-methylfuran-3-yl)-N-propylbut-3-en-1-amine.
What is the SMILES notation for 1-(5-methylfuran-3-yl)-N-propylbut-3-en-1-amine?
The canonical SMILES for 1-(5-methylfuran-3-yl)-N-propylbut-3-en-1-amine is C=CCC(NCCC)c1coc(C)c1.
What is the InChIKey of 1-(5-methylfuran-3-yl)-N-propylbut-3-en-1-amine?
The InChIKey is QIJVLFKBSDKXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-6-12(13-7-5-2)11-8-10(3)14-9-11/h4,8-9,12-13H,1,5-7H2,2-3H3.
What are the key properties of 1-(5-methylfuran-3-yl)-N-propylbut-3-en-1-amine?
1-(5-methylfuran-3-yl)-N-propylbut-3-en-1-amine has a molecular weight of 193.29 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-3-yl)-N-propylbut-3-en-1-amine is sourced from PubChem (CID 115814330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).