(E)-3-methyl-4-(5-piperidin-1-ylfuran-2-yl)-N-propylbut-3-en-2-amine

C17H28N2O — CID 103093753

IUPAC(E)-3-methyl-4-(5-piperidin-1-ylfuran-2-yl)-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C(C)=C/c1ccc(N2CCCCC2)o1
InChIInChI=1S/C17H28N2O/c1-4-10-18-15(3)14(2)13-16-8-9-17(20-16)19-11-6-5-7-12-19/h8-9,13,15,18H,4-7,10-12H2,1-3H3/b14-13+
InChIKeyCHPWHGBPPZTKGM-BUHFOSPRSA-N
MW276.42 g/mol
LogP4.06
Rot. Bonds6

About (E)-3-methyl-4-(5-piperidin-1-ylfuran-2-yl)-N-propylbut-3-en-2-amine

(E)-3-methyl-4-(5-piperidin-1-ylfuran-2-yl)-N-propylbut-3-en-2-amine (PubChem CID 103093753) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (E)-3-methyl-4-(5-piperidin-1-ylfuran-2-yl)-N-propylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-3-methyl-4-(5-piperidin-1-ylfuran-2-yl)-N-propylbut-3-en-2-amine
PubChem CID103093753
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(E)-3-methyl-4-(5-piperidin-1-ylfuran-2-yl)-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C(C)=C/c1ccc(N2CCCCC2)o1
InChIInChI=1S/C17H28N2O/c1-4-10-18-15(3)14(2)13-16-8-9-17(20-16)19-11-6-5-7-12-19/h8-9,13,15,18H,4-7,10-12H2,1-3H3/b14-13+
InChIKeyCHPWHGBPPZTKGM-BUHFOSPRSA-N
XLogP4.06
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E)-3-methyl-4-(5-piperidin-1-ylfuran-2-yl)-N-propylbut-3-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-5-[[5-(diethylamino)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 1209895
5-[[5-(Diethylamino)-2-furanyl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 712366
(E)-2-(Morpholine-4-carbonyl)-3-(5-morpholin-4-yl-furan-2-yl)-acrylonitrile
CID 839237
(5E)-5-{[5-(diethylamino)furan-2-yl]methylidene}-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
CID 900249
(5Z)-1-methyl-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 5421118
(Z)-2-cyano-3-(5-morpholin-4-ylfuran-2-yl)-N-phenylprop-2-enamide
CID 5727752
N-[4-(dimethylamino)phenyl]-3-(5-methyl-2-furyl)acrylamide
CID 888046
(2Z)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide
CID 921800
(Z)-2-cyano-N-cyclohexyl-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide
CID 929419
(Z)-N-benzyl-2-cyano-3-[5-(diethylamino)furan-2-yl]prop-2-enamide
CID 929467
5-{[5-(1-azepanyl)-2-furyl]methylene}-1-methyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
CID 1740011
(E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide
CID 798024

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-4-(5-piperidin-1-ylfuran-2-yl)-N-propylbut-3-en-2-amine?
The IUPAC name of (E)-3-methyl-4-(5-piperidin-1-ylfuran-2-yl)-N-propylbut-3-en-2-amine (CID 103093753) is (E)-3-methyl-4-(5-piperidin-1-ylfuran-2-yl)-N-propylbut-3-en-2-amine.
What is the SMILES notation for (E)-3-methyl-4-(5-piperidin-1-ylfuran-2-yl)-N-propylbut-3-en-2-amine?
The canonical SMILES for (E)-3-methyl-4-(5-piperidin-1-ylfuran-2-yl)-N-propylbut-3-en-2-amine is CCCNC(C)/C(C)=C/c1ccc(N2CCCCC2)o1.
What is the InChIKey of (E)-3-methyl-4-(5-piperidin-1-ylfuran-2-yl)-N-propylbut-3-en-2-amine?
The InChIKey is CHPWHGBPPZTKGM-BUHFOSPRSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-10-18-15(3)14(2)13-16-8-9-17(20-16)19-11-6-5-7-12-19/h8-9,13,15,18H,4-7,10-12H2,1-3H3/b14-13+.
What are the key properties of (E)-3-methyl-4-(5-piperidin-1-ylfuran-2-yl)-N-propylbut-3-en-2-amine?
(E)-3-methyl-4-(5-piperidin-1-ylfuran-2-yl)-N-propylbut-3-en-2-amine has a molecular weight of 276.42 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-4-(5-piperidin-1-ylfuran-2-yl)-N-propylbut-3-en-2-amine is sourced from PubChem (CID 103093753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).