N-[[2-(2,5-dimethylfuran-3-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine

C15H25NO — CID 62713891

IUPACN-[[2-(2,5-dimethylfuran-3-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(C2(C)CC2CNCC(C)C)c(C)o1
InChIInChI=1S/C15H25NO/c1-10(2)8-16-9-13-7-15(13,5)14-6-11(3)17-12(14)4/h6,10,13,16H,7-9H2,1-5H3
InChIKeyGBJHMYACAZJMDP-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.42
Rot. Bonds5

About N-[[2-(2,5-dimethylfuran-3-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine

N-[[2-(2,5-dimethylfuran-3-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine (PubChem CID 62713891) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[[2-(2,5-dimethylfuran-3-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,5-dimethylfuran-3-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine
PubChem CID62713891
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[[2-(2,5-dimethylfuran-3-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(C2(C)CC2CNCC(C)C)c(C)o1
InChIInChI=1S/C15H25NO/c1-10(2)8-16-9-13-7-15(13,5)14-6-11(3)17-12(14)4/h6,10,13,16H,7-9H2,1-5H3
InChIKeyGBJHMYACAZJMDP-UHFFFAOYSA-N
XLogP3.42
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine
CID 62714065
2-methyl-N-[[2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine
CID 62714066
2-methyl-N-[(2-methyl-2-pyridin-3-ylcyclopropyl)methyl]propan-1-amine
CID 62714424
2-methyl-N-[(2-methyl-2-propylcyclopropyl)methyl]propan-1-amine
CID 62714427
N-[(7,7-dimethylspiro[2.4]heptan-2-yl)methyl]-2-methylpropan-1-amine
CID 79863729
2-methyl-N-[[2-methyl-2-(3-methylbutyl)cyclopropyl]methyl]propan-1-amine
CID 62713179
N-[[2-ethyl-2-(2-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 112680012
N-[[2-ethyl-2-(4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62714780
N-[(2-cyclohexyl-2-methylcyclopropyl)methyl]-2-methylpropan-1-amine
CID 62712645
2-methyl-N-[(2,4,4-trimethylcyclohexyl)methyl]propan-1-amine
CID 81031261
2-methyl-N-(spiro[2.6]nonan-2-ylmethyl)propan-1-amine
CID 62714784
2-methyl-N-[(5,5,7-trimethylspiro[2.4]heptan-2-yl)methyl]propan-1-amine
CID 106664101

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-dimethylfuran-3-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(2,5-dimethylfuran-3-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine (CID 62713891) is N-[[2-(2,5-dimethylfuran-3-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2,5-dimethylfuran-3-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2,5-dimethylfuran-3-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine is Cc1cc(C2(C)CC2CNCC(C)C)c(C)o1.
What is the InChIKey of N-[[2-(2,5-dimethylfuran-3-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine?
The InChIKey is GBJHMYACAZJMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10(2)8-16-9-13-7-15(13,5)14-6-11(3)17-12(14)4/h6,10,13,16H,7-9H2,1-5H3.
What are the key properties of N-[[2-(2,5-dimethylfuran-3-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine?
N-[[2-(2,5-dimethylfuran-3-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,5-dimethylfuran-3-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62713891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).