4-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pentan-1-amine

C15H25NO — CID 60744499

IUPAC4-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pentan-1-amine
SMILESCC(C)CCCNCc1ccc(C2CC2C)o1
InChIInChI=1S/C15H25NO/c1-11(2)5-4-8-16-10-13-6-7-15(17-13)14-9-12(14)3/h6-7,11-12,14,16H,4-5,8-10H2,1-3H3
InChIKeyPNDRBNKWWRKPPZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.93
Rot. Bonds7

About 4-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pentan-1-amine

4-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pentan-1-amine (PubChem CID 60744499) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pentan-1-amine
PubChem CID60744499
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pentan-1-amine
SMILESCC(C)CCCNCc1ccc(C2CC2C)o1
InChIInChI=1S/C15H25NO/c1-11(2)5-4-8-16-10-13-6-7-15(17-13)14-9-12(14)3/h6-7,11-12,14,16H,4-5,8-10H2,1-3H3
InChIKeyPNDRBNKWWRKPPZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-methylsulfinylbutan-1-amine
CID 113260426
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanenitrile
CID 43183176
2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butan-1-amine
CID 115584728
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 43182304
N-[2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]ethyl]acetamide
CID 43182791
N'-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 119126789
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 43177503
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]butan-1-ol
CID 78998178
2-methyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propan-2-ol
CID 63932071
N-[(1-methylcyclobutyl)methyl]-1-[5-(2-methylcyclopropyl)furan-2-yl]methanamine
CID 103735997
1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine
CID 43178065

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pentan-1-amine?
The IUPAC name of 4-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pentan-1-amine (CID 60744499) is 4-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pentan-1-amine?
The canonical SMILES for 4-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pentan-1-amine is CC(C)CCCNCc1ccc(C2CC2C)o1.
What is the InChIKey of 4-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pentan-1-amine?
The InChIKey is PNDRBNKWWRKPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(2)5-4-8-16-10-13-6-7-15(17-13)14-9-12(14)3/h6-7,11-12,14,16H,4-5,8-10H2,1-3H3.
What are the key properties of 4-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pentan-1-amine?
4-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pentan-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 4-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pentan-1-amine is sourced from PubChem (CID 60744499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).