N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine

C17H30N2O — CID 62419196

IUPACN-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1cc(CNC(C)(C)C)oc1C
InChIInChI=1S/C17H30N2O/c1-8-19(11-13(2)3)12-15-9-16(20-14(15)4)10-18-17(5,6)7/h9,18H,2,8,10-12H2,1,3-7H3
InChIKeyDMBMUMMPXYLSPF-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.87
Rot. Bonds7

About N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine

N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine (PubChem CID 62419196) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
PubChem CID62419196
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1cc(CNC(C)(C)C)oc1C
InChIInChI=1S/C17H30N2O/c1-8-19(11-13(2)3)12-15-9-16(20-14(15)4)10-18-17(5,6)7/h9,18H,2,8,10-12H2,1,3-7H3
InChIKeyDMBMUMMPXYLSPF-UHFFFAOYSA-N
XLogP3.87
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[[ethyl(2-methoxyethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62435949
N-[[4-[[2-ethoxyethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 63691429
N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 107402017
N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethylbutan-2-amine
CID 62422752
N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N,4-dimethylpentan-2-amine
CID 62463726
N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 62417837
N-[[5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62435944
N-[[4-[[3-methoxypropyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 63007768
2-methyl-N-[[2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62417562
2-methyl-N-[[2-methyl-5-[[propan-2-yl(propyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62420500
N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-methylcyclopentanamine
CID 62419292
N-[[4-[(4-ethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62417443

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine?
The IUPAC name of N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine (CID 62419196) is N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine is C=C(C)CN(CC)Cc1cc(CNC(C)(C)C)oc1C.
What is the InChIKey of N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine?
The InChIKey is DMBMUMMPXYLSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-8-19(11-13(2)3)12-15-9-16(20-14(15)4)10-18-17(5,6)7/h9,18H,2,8,10-12H2,1,3-7H3.
What are the key properties of N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine?
N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 62419196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).