N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N,4-dimethylpentan-2-amine

C18H34N2O — CID 62463726

IUPACN-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N,4-dimethylpentan-2-amine
SMILESCc1oc(CNC(C)(C)C)cc1CN(C)C(C)CC(C)C
InChIInChI=1S/C18H34N2O/c1-13(2)9-14(3)20(8)12-16-10-17(21-15(16)4)11-19-18(5,6)7/h10,13-14,19H,9,11-12H2,1-8H3
InChIKeySWYBGTSFTFYLGK-UHFFFAOYSA-N
MW294.48 g/mol
LogP4.34
Rot. Bonds7

About N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N,4-dimethylpentan-2-amine

N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N,4-dimethylpentan-2-amine (PubChem CID 62463726) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound NameN-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N,4-dimethylpentan-2-amine
PubChem CID62463726
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N,4-dimethylpentan-2-amine
SMILESCc1oc(CNC(C)(C)C)cc1CN(C)C(C)CC(C)C
InChIInChI=1S/C18H34N2O/c1-13(2)9-14(3)20(8)12-16-10-17(21-15(16)4)11-19-18(5,6)7/h10,13-14,19H,9,11-12H2,1-8H3
InChIKeySWYBGTSFTFYLGK-UHFFFAOYSA-N
XLogP4.34
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[[1-cyclopropylethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62432854
N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethylbutan-2-amine
CID 62422752
2-methyl-N-[[2-methyl-5-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 115987892
N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 62419196
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,3,3-trimethyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]butan-2-amine
CID 62427206
2-methyl-N-[[5-methyl-4-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62425019
2-methyl-N-[[5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62445177
N-[[4-[[ethyl(2-methoxyethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62435949
N-[[4-[[3-methoxypropyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 63007768
N-[[5-methyl-4-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 55069990

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N,4-dimethylpentan-2-amine?
The IUPAC name of N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N,4-dimethylpentan-2-amine (CID 62463726) is N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N,4-dimethylpentan-2-amine.
What is the SMILES notation for N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N,4-dimethylpentan-2-amine?
The canonical SMILES for N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N,4-dimethylpentan-2-amine is Cc1oc(CNC(C)(C)C)cc1CN(C)C(C)CC(C)C.
What is the InChIKey of N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N,4-dimethylpentan-2-amine?
The InChIKey is SWYBGTSFTFYLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-13(2)9-14(3)20(8)12-16-10-17(21-15(16)4)11-19-18(5,6)7/h10,13-14,19H,9,11-12H2,1-8H3.
What are the key properties of N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N,4-dimethylpentan-2-amine?
N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N,4-dimethylpentan-2-amine has a molecular weight of 294.48 g/mol, XLogP of 4.34, 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,4-dimethylpentan-2-amine is sourced from PubChem (CID 62463726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).