N-tert-butyl-2-methyl-3-(5-pyridin-3-ylfuran-2-yl)prop-2-en-1-amine

C17H22N2O — CID 79340012

IUPACN-tert-butyl-2-methyl-3-(5-pyridin-3-ylfuran-2-yl)prop-2-en-1-amine
SMILESCC(=Cc1ccc(-c2cccnc2)o1)CNC(C)(C)C
InChIInChI=1S/C17H22N2O/c1-13(11-19-17(2,3)4)10-15-7-8-16(20-15)14-6-5-9-18-12-14/h5-10,12,19H,11H2,1-4H3
InChIKeyXFGPDKRHGRWCJW-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.13
Rot. Bonds4

About N-tert-butyl-2-methyl-3-(5-pyridin-3-ylfuran-2-yl)prop-2-en-1-amine

N-tert-butyl-2-methyl-3-(5-pyridin-3-ylfuran-2-yl)prop-2-en-1-amine (PubChem CID 79340012) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-3-(5-pyridin-3-ylfuran-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-3-(5-pyridin-3-ylfuran-2-yl)prop-2-en-1-amine
PubChem CID79340012
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-tert-butyl-2-methyl-3-(5-pyridin-3-ylfuran-2-yl)prop-2-en-1-amine
SMILESCC(=Cc1ccc(-c2cccnc2)o1)CNC(C)(C)C
InChIInChI=1S/C17H22N2O/c1-13(11-19-17(2,3)4)10-15-7-8-16(20-15)14-6-5-9-18-12-14/h5-10,12,19H,11H2,1-4H3
InChIKeyXFGPDKRHGRWCJW-UHFFFAOYSA-N
XLogP4.13
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine
CID 79322193
3-[5-[(E)-2-nitroprop-1-enyl]furan-2-yl]pyridine
CID 55016356
N-(2-methylpropyl)-2-[(5-pyridin-3-ylfuran-2-yl)methylidene]butan-1-amine
CID 79328941
(NZ)-N-[(5-pyridin-3-ylfuran-2-yl)methylidene]hydroxylamine
CID 11355925
N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine
CID 72556558
N-[(5-pyridin-3-ylfuran-2-yl)methyl]propan-2-amine
CID 103625236
3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-propylprop-2-en-1-amine
CID 79341535
3-[5-(4-bromophenyl)furan-2-yl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79344064
(Z)-N-tert-butyl-3-(5-chloroquinolin-8-yl)-2-methylprop-2-en-1-amine
CID 115960646
1-butyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea
CID 67108655
N-(1-hydroxypropyl)-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)acetamide
CID 123327559
2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78986887

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-3-(5-pyridin-3-ylfuran-2-yl)prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-3-(5-pyridin-3-ylfuran-2-yl)prop-2-en-1-amine (CID 79340012) is N-tert-butyl-2-methyl-3-(5-pyridin-3-ylfuran-2-yl)prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-3-(5-pyridin-3-ylfuran-2-yl)prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-3-(5-pyridin-3-ylfuran-2-yl)prop-2-en-1-amine is CC(=Cc1ccc(-c2cccnc2)o1)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-3-(5-pyridin-3-ylfuran-2-yl)prop-2-en-1-amine?
The InChIKey is XFGPDKRHGRWCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13(11-19-17(2,3)4)10-15-7-8-16(20-15)14-6-5-9-18-12-14/h5-10,12,19H,11H2,1-4H3.
What are the key properties of N-tert-butyl-2-methyl-3-(5-pyridin-3-ylfuran-2-yl)prop-2-en-1-amine?
N-tert-butyl-2-methyl-3-(5-pyridin-3-ylfuran-2-yl)prop-2-en-1-amine has a molecular weight of 270.38 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-3-(5-pyridin-3-ylfuran-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 79340012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).