2-(furan-2-ylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine

C13H21NO — CID 102641014

IUPAC2-(furan-2-ylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine
SMILESC=CC(C)(CNC(C)C)Cc1ccco1
InChIInChI=1S/C13H21NO/c1-5-13(4,10-14-11(2)3)9-12-7-6-8-15-12/h5-8,11,14H,1,9-10H2,2-4H3
InChIKeyLPUZIVBNSMWRGE-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.01
Rot. Bonds6

About 2-(furan-2-ylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine

2-(furan-2-ylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine (PubChem CID 102641014) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine
PubChem CID102641014
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(furan-2-ylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine
SMILESC=CC(C)(CNC(C)C)Cc1ccco1
InChIInChI=1S/C13H21NO/c1-5-13(4,10-14-11(2)3)9-12-7-6-8-15-12/h5-8,11,14H,1,9-10H2,2-4H3
InChIKeyLPUZIVBNSMWRGE-UHFFFAOYSA-N
XLogP3.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.01
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

2-methyl-N-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-1-amine
CID 102641053
N-[2-(furan-2-yl)ethyl]but-3-en-2-amine
CID 107906669
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641074
3-(aminomethyl)-4-(furan-2-yl)-3-methylbutan-2-ol
CID 65392790
N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N-prop-2-enyloxamide
CID 90605187
2-[2-(4-methoxyphenoxy)ethyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641027
N'-(furan-2-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 60843082
2-(cyclopentylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641015
2-(ethoxymethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641012
2-(furan-2-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine
CID 62998125
2-cyclohexyl-1-(furan-2-yl)propan-2-ol
CID 114794875
3-(furan-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830782

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine?
The IUPAC name of 2-(furan-2-ylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine (CID 102641014) is 2-(furan-2-ylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine.
What is the SMILES notation for 2-(furan-2-ylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine?
The canonical SMILES for 2-(furan-2-ylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine is C=CC(C)(CNC(C)C)Cc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine?
The InChIKey is LPUZIVBNSMWRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-13(4,10-14-11(2)3)9-12-7-6-8-15-12/h5-8,11,14H,1,9-10H2,2-4H3.
What are the key properties of 2-(furan-2-ylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine?
2-(furan-2-ylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine has a molecular weight of 207.32 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine is sourced from PubChem (CID 102641014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).