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

C15H26N2O — CID 55211059

IUPACN-propyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
SMILESCCCNCc1ccoc1CN(CCC)C1CC1
InChIInChI=1S/C15H26N2O/c1-3-8-16-11-13-7-10-18-15(13)12-17(9-4-2)14-5-6-14/h7,10,14,16H,3-6,8-9,11-12H2,1-2H3
InChIKeyPMDYNEREPSVFKH-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.15
Rot. Bonds9

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

N-propyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 55211059) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-propyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-propyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID55211059
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-propyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
SMILESCCCNCc1ccoc1CN(CCC)C1CC1
InChIInChI=1S/C15H26N2O/c1-3-8-16-11-13-7-10-18-15(13)12-17(9-4-2)14-5-6-14/h7,10,14,16H,3-6,8-9,11-12H2,1-2H3
InChIKeyPMDYNEREPSVFKH-UHFFFAOYSA-N
XLogP3.15
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62412040
N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine
CID 62421606
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-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 112665475
N,N,N'-trimethyl-N'-[[3-(propylaminomethyl)furan-2-yl]methyl]propane-1,3-diamine
CID 63726681
N-[[2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 63682547
N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62439899
N-[[3-[[butyl(cyclopropyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62431615
3-methoxy-N-methyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 63008130
1-ethyl-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]piperidin-4-amine
CID 62436022
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethylcyclopropanamine
CID 62420146

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-propyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine (CID 55211059) is N-propyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-propyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-propyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine is CCCNCc1ccoc1CN(CCC)C1CC1.
What is the InChIKey of N-propyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is PMDYNEREPSVFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-8-16-11-13-7-10-18-15(13)12-17(9-4-2)14-5-6-14/h7,10,14,16H,3-6,8-9,11-12H2,1-2H3.
What are the key properties of N-propyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine?
N-propyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 250.39 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55211059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).