2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine

C15H25NO — CID 115584728

IUPAC2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine
SMILESCCC(CC)CNCc1ccc(C2CC2C)o1
InChIInChI=1S/C15H25NO/c1-4-12(5-2)9-16-10-13-6-7-15(17-13)14-8-11(14)3/h6-7,11-12,14,16H,4-5,8-10H2,1-3H3
InChIKeyUFARPSCVVBBORV-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.93
Rot. Bonds7

About 2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine

2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine (PubChem CID 115584728) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine
PubChem CID115584728
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine
SMILESCCC(CC)CNCc1ccc(C2CC2C)o1
InChIInChI=1S/C15H25NO/c1-4-12(5-2)9-16-10-13-6-7-15(17-13)14-8-11(14)3/h6-7,11-12,14,16H,4-5,8-10H2,1-3H3
InChIKeyUFARPSCVVBBORV-UHFFFAOYSA-N
XLogP3.93
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 43177503
4-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pentan-1-amine
CID 60744499
1-(furan-2-yl)-N,N-dimethyl-N'-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 43181132
N-[(1-methylcyclobutyl)methyl]-1-[5-(2-methylcyclopropyl)furan-2-yl]methanamine
CID 103735997
2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propan-2-ol
CID 63932071
2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-2-ol
CID 63932456
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanenitrile
CID 43183176
1-cyclohexyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]propan-1-amine
CID 63476465
1,1-dimethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]hydrazine
CID 83004795
N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine
CID 30116573
5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile
CID 115653596

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine?
The IUPAC name of 2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine (CID 115584728) is 2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine?
The canonical SMILES for 2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine is CCC(CC)CNCc1ccc(C2CC2C)o1.
What is the InChIKey of 2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine?
The InChIKey is UFARPSCVVBBORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-12(5-2)9-16-10-13-6-7-15(17-13)14-8-11(14)3/h6-7,11-12,14,16H,4-5,8-10H2,1-3H3.
What are the key properties of 2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine?
2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine is sourced from PubChem (CID 115584728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).