N-(furan-2-ylmethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine

C17H24N2O2 — CID 62412040

IUPACN-(furan-2-ylmethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
SMILESCCCNCc1ccoc1CN(Cc1ccco1)C1CC1
InChIInChI=1S/C17H24N2O2/c1-2-8-18-11-14-7-10-21-17(14)13-19(15-5-6-15)12-16-4-3-9-20-16/h3-4,7,9-10,15,18H,2,5-6,8,11-13H2,1H3
InChIKeyRFTWQXNBXZYDKL-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.54
Rot. Bonds9

About N-(furan-2-ylmethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine

N-(furan-2-ylmethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 62412040) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID62412040
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(furan-2-ylmethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
SMILESCCCNCc1ccoc1CN(Cc1ccco1)C1CC1
InChIInChI=1S/C17H24N2O2/c1-2-8-18-11-14-7-10-21-17(14)13-19(15-5-6-15)12-16-4-3-9-20-16/h3-4,7,9-10,15,18H,2,5-6,8,11-13H2,1H3
InChIKeyRFTWQXNBXZYDKL-UHFFFAOYSA-N
XLogP3.54
TPSA41.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 55211059
N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine
CID 62413633
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 62429369
N-[[2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62432136
N-cyclopropyl-N-(furan-2-ylmethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62411687
N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine
CID 62421606
N-[[2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 63682547
N-(2-butoxyethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558803
4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62209852
N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62439899
N-cyclopropyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)cyclobutan-1-amine
CID 80997321
N-[[3-(methylaminomethyl)furan-2-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 62413445

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-(furan-2-ylmethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine (CID 62412040) is N-(furan-2-ylmethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine is CCCNCc1ccoc1CN(Cc1ccco1)C1CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is RFTWQXNBXZYDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-8-18-11-14-7-10-21-17(14)13-19(15-5-6-15)12-16-4-3-9-20-16/h3-4,7,9-10,15,18H,2,5-6,8,11-13H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine?
N-(furan-2-ylmethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 288.39 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62412040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).