N,N-dimethyl-N'-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]-N'-propylethane-1,2-diamine

C17H33N3O — CID 62436880

IUPACN,N-dimethyl-N'-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]-N'-propylethane-1,2-diamine
SMILESCCCNCc1cc(CN(CCC)CCN(C)C)oc1C
InChIInChI=1S/C17H33N3O/c1-6-8-18-13-16-12-17(21-15(16)3)14-20(9-7-2)11-10-19(4)5/h12,18H,6-11,13-14H2,1-5H3
InChIKeyUWFJBOZYVWVZKI-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.86
Rot. Bonds11

About N,N-dimethyl-N'-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]-N'-propylethane-1,2-diamine

N,N-dimethyl-N'-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]-N'-propylethane-1,2-diamine (PubChem CID 62436880) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N,N-dimethyl-N'-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]-N'-propylethane-1,2-diamine
PubChem CID62436880
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN,N-dimethyl-N'-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]-N'-propylethane-1,2-diamine
SMILESCCCNCc1cc(CN(CCC)CCN(C)C)oc1C
InChIInChI=1S/C17H33N3O/c1-6-8-18-13-16-12-17(21-15(16)3)14-20(9-7-2)11-10-19(4)5/h12,18H,6-11,13-14H2,1-5H3
InChIKeyUWFJBOZYVWVZKI-UHFFFAOYSA-N
XLogP2.86
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-N'-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]-N'-propylethane-1,2-diamine with MolForge

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Related Compounds

N'-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62436717
N-[[5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62435770
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpropan-1-amine
CID 62417372
N,3-dimethyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 55075046
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62417408
N-[[2-methyl-5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62420974
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopentanamine
CID 62417950
N-[[2-methyl-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 81068577
4-fluoro-N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62436050
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62426427
N,N,N'-trimethyl-N'-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 55228334
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,N-dimethyl-N'-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]-N'-propylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]-N'-propylethane-1,2-diamine (CID 62436880) is N,N-dimethyl-N'-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]-N'-propylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]-N'-propylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]-N'-propylethane-1,2-diamine is CCCNCc1cc(CN(CCC)CCN(C)C)oc1C.
What is the InChIKey of N,N-dimethyl-N'-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]-N'-propylethane-1,2-diamine?
The InChIKey is UWFJBOZYVWVZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-6-8-18-13-16-12-17(21-15(16)3)14-20(9-7-2)11-10-19(4)5/h12,18H,6-11,13-14H2,1-5H3.
What are the key properties of N,N-dimethyl-N'-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]-N'-propylethane-1,2-diamine?
N,N-dimethyl-N'-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]-N'-propylethane-1,2-diamine has a molecular weight of 295.47 g/mol, XLogP of 2.86, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62436880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).