N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine

C16H26N2O2 — CID 43182304

IUPACN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCC1CC1c1ccc(CNCCCN2CCOCC2)o1
InChIInChI=1S/C16H26N2O2/c1-13-11-15(13)16-4-3-14(20-16)12-17-5-2-6-18-7-9-19-10-8-18/h3-4,13,15,17H,2,5-12H2,1H3
InChIKeyWYYYJAMCTVSECK-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.21
Rot. Bonds7

About N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 43182304) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID43182304
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCC1CC1c1ccc(CNCCCN2CCOCC2)o1
InChIInChI=1S/C16H26N2O2/c1-13-11-15(13)16-4-3-14(20-16)12-17-5-2-6-18-7-9-19-10-8-18/h3-4,13,15,17H,2,5-12H2,1H3
InChIKeyWYYYJAMCTVSECK-UHFFFAOYSA-N
XLogP2.21
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pentan-1-amine
CID 60744499
3-morpholin-4-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine;dihydrochloride
CID 6456966
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propanenitrile
CID 43183176
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694294
N-[2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]ethyl]acetamide
CID 43182791
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
N'-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 119126789
2,3-dimethyl-4-[(3-morpholin-4-ylpropylamino)methyl]aniline
CID 91873507
3-morpholin-4-yl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine;dihydrochloride
CID 17195962
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(oxan-3-yl)methanamine
CID 54906775
N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-2-morpholin-4-ylpyridin-3-amine
CID 99704978

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine (CID 43182304) is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine is CC1CC1c1ccc(CNCCCN2CCOCC2)o1.
What is the InChIKey of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is WYYYJAMCTVSECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13-11-15(13)16-4-3-14(20-16)12-17-5-2-6-18-7-9-19-10-8-18/h3-4,13,15,17H,2,5-12H2,1H3.
What are the key properties of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine?
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 43182304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).