2-[(tert-butylamino)methyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclobutan-1-amine

C16H28N2O — CID 80996883

IUPAC2-[(tert-butylamino)methyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclobutan-1-amine
SMILESCc1occc1CN(C)C1CCC1CNC(C)(C)C
InChIInChI=1S/C16H28N2O/c1-12-14(8-9-19-12)11-18(5)15-7-6-13(15)10-17-16(2,3)4/h8-9,13,15,17H,6-7,10-11H2,1-5H3
InChIKeyAGRFTUBJXBNZOU-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.19
Rot. Bonds5

About 2-[(tert-butylamino)methyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclobutan-1-amine

2-[(tert-butylamino)methyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclobutan-1-amine (PubChem CID 80996883) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclobutan-1-amine
PubChem CID80996883
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-[(tert-butylamino)methyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclobutan-1-amine
SMILESCc1occc1CN(C)C1CCC1CNC(C)(C)C
InChIInChI=1S/C16H28N2O/c1-12-14(8-9-19-12)11-18(5)15-7-6-13(15)10-17-16(2,3)4/h8-9,13,15,17H,6-7,10-11H2,1-5H3
InChIKeyAGRFTUBJXBNZOU-UHFFFAOYSA-N
XLogP3.19
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclobutan-1-amine
CID 80996990
N-[(2-bromophenyl)methyl]-2-[(tert-butylamino)methyl]-N-methylcyclobutan-1-amine
CID 80997617
trans-(1S,2S)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol
CID 102731964
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol
CID 61426304
2-[(tert-butylamino)methyl]-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine
CID 80998310
N-tert-butyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 61426899
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclopentane-1-carbonitrile
CID 55137173
2-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 80998648
2-cyclopropyl-1-N-methyl-1-N-[(2-methylfuran-3-yl)methyl]propane-1,2-diamine
CID 61424071
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
5-[(tert-butylamino)methyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazin-2-amine
CID 107379866
N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-methylcyclopentanamine
CID 62417012

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 2-[(tert-butylamino)methyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclobutan-1-amine (CID 80996883) is 2-[(tert-butylamino)methyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 2-[(tert-butylamino)methyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclobutan-1-amine is Cc1occc1CN(C)C1CCC1CNC(C)(C)C.
What is the InChIKey of 2-[(tert-butylamino)methyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is AGRFTUBJXBNZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12-14(8-9-19-12)11-18(5)15-7-6-13(15)10-17-16(2,3)4/h8-9,13,15,17H,6-7,10-11H2,1-5H3.
What are the key properties of 2-[(tert-butylamino)methyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclobutan-1-amine?
2-[(tert-butylamino)methyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)methyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 80996883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).