N-[cyclopropyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine

C13H21NO — CID 104994062

IUPACN-[cyclopropyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1c(C)oc(C)c1C)C1CC1
InChIInChI=1S/C13H21NO/c1-5-14-13(11-6-7-11)12-8(2)9(3)15-10(12)4/h11,13-14H,5-7H2,1-4H3
InChIKeyVRXQPVZJMUIHAU-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.27
Rot. Bonds4

About N-[cyclopropyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine

N-[cyclopropyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine (PubChem CID 104994062) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[cyclopropyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
PubChem CID104994062
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[cyclopropyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1c(C)oc(C)c1C)C1CC1
InChIInChI=1S/C13H21NO/c1-5-14-13(11-6-7-11)12-8(2)9(3)15-10(12)4/h11,13-14H,5-7H2,1-4H3
InChIKeyVRXQPVZJMUIHAU-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[cyclopropyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[cyclohexyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
CID 114980821
N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine
CID 43489814
3-cyclopropyl-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 104994734
N-[cycloheptyl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 63508117
N-[(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
CID 65438893
N-[cyclohexyl-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 114981388
N-[(5-chloro-4-methylthiophen-2-yl)-cyclopropylmethyl]ethanamine
CID 102763969
N-[(4-tert-butylcyclohexyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 63504568
N-[cyclopropyl-(6,7-dichloro-1-benzofuran-2-yl)methyl]ethanamine
CID 65441182
N-[cyclopentyl-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 43490426
N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine
CID 55185680
N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]propan-1-amine
CID 43495413

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine?
The IUPAC name of N-[cyclopropyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine (CID 104994062) is N-[cyclopropyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclopropyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclopropyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine is CCNC(c1c(C)oc(C)c1C)C1CC1.
What is the InChIKey of N-[cyclopropyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine?
The InChIKey is VRXQPVZJMUIHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-14-13(11-6-7-11)12-8(2)9(3)15-10(12)4/h11,13-14H,5-7H2,1-4H3.
What are the key properties of N-[cyclopropyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine?
N-[cyclopropyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine has a molecular weight of 207.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine is sourced from PubChem (CID 104994062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).