N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]oxolan-3-amine

C15H26N2O2 — CID 82754169

IUPACN-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]oxolan-3-amine
SMILESCCCNCc1cc(CN(C)C2CCOC2)c(C)o1
InChIInChI=1S/C15H26N2O2/c1-4-6-16-9-15-8-13(12(2)19-15)10-17(3)14-5-7-18-11-14/h8,14,16H,4-7,9-11H2,1-3H3
InChIKeyBGKWSUVBDYXJQT-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.31
Rot. Bonds7

About N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]oxolan-3-amine

N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]oxolan-3-amine (PubChem CID 82754169) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]oxolan-3-amine
PubChem CID82754169
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]oxolan-3-amine
SMILESCCCNCc1cc(CN(C)C2CCOC2)c(C)o1
InChIInChI=1S/C15H26N2O2/c1-4-6-16-9-15-8-13(12(2)19-15)10-17(3)14-5-7-18-11-14/h8,14,16H,4-7,9-11H2,1-3H3
InChIKeyBGKWSUVBDYXJQT-UHFFFAOYSA-N
XLogP2.31
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.31
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-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]cyclopentanamine
CID 62419092
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]cycloheptanamine
CID 62434059
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methyloxan-4-amine
CID 55073992
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62417408
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopentanamine
CID 62417950
N-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]oxan-4-amine
CID 62431851
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine
CID 62431881
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62425746
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]aniline
CID 62437385
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62430229
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]cycloheptanamine
CID 62431880
N-[[4-[[bis(prop-2-enyl)amino]methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62438260

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]oxolan-3-amine?
The IUPAC name of N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]oxolan-3-amine (CID 82754169) is N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]oxolan-3-amine.
What is the SMILES notation for N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]oxolan-3-amine?
The canonical SMILES for N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]oxolan-3-amine is CCCNCc1cc(CN(C)C2CCOC2)c(C)o1.
What is the InChIKey of N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]oxolan-3-amine?
The InChIKey is BGKWSUVBDYXJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-6-16-9-15-8-13(12(2)19-15)10-17(3)14-5-7-18-11-14/h8,14,16H,4-7,9-11H2,1-3H3.
What are the key properties of N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]oxolan-3-amine?
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]oxolan-3-amine has a molecular weight of 266.38 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]oxolan-3-amine is sourced from PubChem (CID 82754169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).