1-(2,5-dimethylfuran-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine

C13H21NO — CID 115876700

IUPAC1-(2,5-dimethylfuran-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
SMILESCc1cc(CNCC2(C)CCC2)c(C)o1
InChIInChI=1S/C13H21NO/c1-10-7-12(11(2)15-10)8-14-9-13(3)5-4-6-13/h7,14H,4-6,8-9H2,1-3H3
InChIKeySLRYUDRRNLOGHM-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.18
Rot. Bonds4

About 1-(2,5-dimethylfuran-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine

1-(2,5-dimethylfuran-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine (PubChem CID 115876700) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
PubChem CID115876700
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(2,5-dimethylfuran-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
SMILESCc1cc(CNCC2(C)CCC2)c(C)o1
InChIInChI=1S/C13H21NO/c1-10-7-12(11(2)15-10)8-14-9-13(3)5-4-6-13/h7,14H,4-6,8-9H2,1-3H3
InChIKeySLRYUDRRNLOGHM-UHFFFAOYSA-N
XLogP3.18
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 115876377
1-(2,5-dimethylfuran-3-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 115876698
1-(3,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 114094805
1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43163687
1-(2,5-dimethylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 115627578
1-(2,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 114094777
2-[[(1-methylcyclobutyl)methylamino]methyl]phenol;hydrochloride
CID 115680456
3-methyl-4-[[(1-methylcyclobutyl)methylamino]methyl]benzonitrile
CID 114107870
1-(2-bromophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735964
1-(5-chlorofuran-2-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735965
1,5-dimethyl-4-[[(1-methylcyclobutyl)methylamino]methyl]pyrrole-2-carbonitrile
CID 103735836
4-methoxy-2-[[(1-methylcyclohexyl)methylamino]methyl]phenol
CID 103923735

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine (CID 115876700) is 1-(2,5-dimethylfuran-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine is Cc1cc(CNCC2(C)CCC2)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine?
The InChIKey is SLRYUDRRNLOGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-7-12(11(2)15-10)8-14-9-13(3)5-4-6-13/h7,14H,4-6,8-9H2,1-3H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine?
1-(2,5-dimethylfuran-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine has a molecular weight of 207.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine is sourced from PubChem (CID 115876700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).