N-[[5-[[2-methylpropyl(pentan-3-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine

C18H32N2O — CID 79490038

IUPACN-[[5-[[2-methylpropyl(pentan-3-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
SMILESCCC(CC)N(Cc1cc(CNC2CC2)co1)CC(C)C
InChIInChI=1S/C18H32N2O/c1-5-17(6-2)20(11-14(3)4)12-18-9-15(13-21-18)10-19-16-7-8-16/h9,13-14,16-17,19H,5-8,10-12H2,1-4H3
InChIKeyPPWNDBQXSXKQEB-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.18
Rot. Bonds10

About N-[[5-[[2-methylpropyl(pentan-3-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine

N-[[5-[[2-methylpropyl(pentan-3-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine (PubChem CID 79490038) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[[5-[[2-methylpropyl(pentan-3-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[[2-methylpropyl(pentan-3-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
PubChem CID79490038
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-[[5-[[2-methylpropyl(pentan-3-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
SMILESCCC(CC)N(Cc1cc(CNC2CC2)co1)CC(C)C
InChIInChI=1S/C18H32N2O/c1-5-17(6-2)20(11-14(3)4)12-18-9-15(13-21-18)10-19-16-7-8-16/h9,13-14,16-17,19H,5-8,10-12H2,1-4H3
InChIKeyPPWNDBQXSXKQEB-UHFFFAOYSA-N
XLogP4.18
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[[2-methylpropyl(pentan-3-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62448984
N-[[5-[[bis(2-methylpropyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62426609
N-(2-methylpropyl)-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine
CID 79488811
N-[[5-[[2-methylpropyl(pentan-3-yl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 79490285
N-[[5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62430853
N-[[5-[(dipropylamino)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62438391
N-[[5-[[cyclopropyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62418527
N-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 81067967
N-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62456702
N-[[5-[[2,2-dimethylpropyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62462274
N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N-methylaniline
CID 62438694
N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62423916

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[2-methylpropyl(pentan-3-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[[2-methylpropyl(pentan-3-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine (CID 79490038) is N-[[5-[[2-methylpropyl(pentan-3-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[[2-methylpropyl(pentan-3-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[[2-methylpropyl(pentan-3-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine is CCC(CC)N(Cc1cc(CNC2CC2)co1)CC(C)C.
What is the InChIKey of N-[[5-[[2-methylpropyl(pentan-3-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine?
The InChIKey is PPWNDBQXSXKQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-5-17(6-2)20(11-14(3)4)12-18-9-15(13-21-18)10-19-16-7-8-16/h9,13-14,16-17,19H,5-8,10-12H2,1-4H3.
What are the key properties of N-[[5-[[2-methylpropyl(pentan-3-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine?
N-[[5-[[2-methylpropyl(pentan-3-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine has a molecular weight of 292.47 g/mol, XLogP of 4.18, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[2-methylpropyl(pentan-3-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79490038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).