N-[[3-methyl-5-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine

C15H26N2O — CID 63864021

IUPACN-[[3-methyl-5-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1oc(CN(C)CC2CC2C)cc1C
InChIInChI=1S/C15H26N2O/c1-5-16-8-15-12(3)7-14(18-15)10-17(4)9-13-6-11(13)2/h7,11,13,16H,5-6,8-10H2,1-4H3
InChIKeyLGPUWJQDQPHQAH-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.79
Rot. Bonds7

About N-[[3-methyl-5-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine

N-[[3-methyl-5-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine (PubChem CID 63864021) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[3-methyl-5-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-methyl-5-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
PubChem CID63864021
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[[3-methyl-5-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1oc(CN(C)CC2CC2C)cc1C
InChIInChI=1S/C15H26N2O/c1-5-16-8-15-12(3)7-14(18-15)10-17(4)9-13-6-11(13)2/h7,11,13,16H,5-6,8-10H2,1-4H3
InChIKeyLGPUWJQDQPHQAH-UHFFFAOYSA-N
XLogP2.79
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-methyl-5-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine (CID 63864021) is N-[[3-methyl-5-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-methyl-5-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-methyl-5-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine is CCNCc1oc(CN(C)CC2CC2C)cc1C.
What is the InChIKey of N-[[3-methyl-5-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine?
The InChIKey is LGPUWJQDQPHQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-16-8-15-12(3)7-14(18-15)10-17(4)9-13-6-11(13)2/h7,11,13,16H,5-6,8-10H2,1-4H3.
What are the key properties of N-[[3-methyl-5-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine?
N-[[3-methyl-5-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine has a molecular weight of 250.39 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-5-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 63864021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).