1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclobutan-1-amine

C12H20N2O — CID 81170245

IUPAC1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclobutan-1-amine
SMILESCc1occc1CN(C)CC1(N)CCC1
InChIInChI=1S/C12H20N2O/c1-10-11(4-7-15-10)8-14(2)9-12(13)5-3-6-12/h4,7H,3,5-6,8-9,13H2,1-2H3
InChIKeyUOQIBDIZFWPGHW-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.90
Rot. Bonds4

About 1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclobutan-1-amine

1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclobutan-1-amine (PubChem CID 81170245) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclobutan-1-amine
PubChem CID81170245
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclobutan-1-amine
SMILESCc1occc1CN(C)CC1(N)CCC1
InChIInChI=1S/C12H20N2O/c1-10-11(4-7-15-10)8-14(2)9-12(13)5-3-6-12/h4,7H,3,5-6,8-9,13H2,1-2H3
InChIKeyUOQIBDIZFWPGHW-UHFFFAOYSA-N
XLogP1.90
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methylfuran-3-yl)methanamine
CID 18525866
1-(cyclopropanecarbonyl)-N-[(2-methylfuran-3-yl)methyl]pyrrolidine-2-carboxamide
CID 72019173
1-[2-[Cyclopentyl(methyl)amino]ethyl]-3-[(2-methylfuran-3-yl)methyl]urea
CID 72145293
N-diethylaminomethylfurfural
CID 129781563
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-methylfuran-3-carboxamide
CID 91794338
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylfuran-3-carboxamide
CID 94180370
(2S)-N-(ethylcarbamoyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide
CID 97099946
{3-[Methyl(prop-2-yn-1-yl)amino]propyl}[(2-methylfuran-3-yl)methyl]amine
CID 126818649
N-methyl-1-[2-(trifluoromethyl)furan-3-yl]methanamine
CID 69098964
(1-Diethylamino-2-propen-2-yl)-3-methylfuran
CID 15892766
2-Methyl-3-diethylaminomethylfuran
CID 129798198
1-(4-fluorophenyl)-1-N-(furan-3-ylmethyl)-1-N-methylpropane-1,2-diamine
CID 55016772

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclobutan-1-amine?
The IUPAC name of 1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclobutan-1-amine (CID 81170245) is 1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclobutan-1-amine is Cc1occc1CN(C)CC1(N)CCC1.
What is the InChIKey of 1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclobutan-1-amine?
The InChIKey is UOQIBDIZFWPGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10-11(4-7-15-10)8-14(2)9-12(13)5-3-6-12/h4,7H,3,5-6,8-9,13H2,1-2H3.
What are the key properties of 1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclobutan-1-amine?
1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclobutan-1-amine has a molecular weight of 208.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 81170245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).