4-(furan-2-yl)-N-[3-(2-methylpropoxy)propyl]butan-2-amine

C15H27NO2 — CID 43478908

IUPAC4-(furan-2-yl)-N-[3-(2-methylpropoxy)propyl]butan-2-amine
SMILESCC(C)COCCCNC(C)CCc1ccco1
InChIInChI=1S/C15H27NO2/c1-13(2)12-17-10-5-9-16-14(3)7-8-15-6-4-11-18-15/h4,6,11,13-14,16H,5,7-10,12H2,1-3H3
InChIKeyLRVDBHOLQISPEG-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.25
Rot. Bonds10

About 4-(furan-2-yl)-N-[3-(2-methylpropoxy)propyl]butan-2-amine

4-(furan-2-yl)-N-[3-(2-methylpropoxy)propyl]butan-2-amine (PubChem CID 43478908) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-[3-(2-methylpropoxy)propyl]butan-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-[3-(2-methylpropoxy)propyl]butan-2-amine
PubChem CID43478908
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name4-(furan-2-yl)-N-[3-(2-methylpropoxy)propyl]butan-2-amine
SMILESCC(C)COCCCNC(C)CCc1ccco1
InChIInChI=1S/C15H27NO2/c1-13(2)12-17-10-5-9-16-14(3)7-8-15-6-4-11-18-15/h4,6,11,13-14,16H,5,7-10,12H2,1-3H3
InChIKeyLRVDBHOLQISPEG-UHFFFAOYSA-N
XLogP3.25
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(furan-2-yl)-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine
CID 103178791
N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419
N-(3-ethoxypropyl)-1-(furan-2-yl)propan-2-amine
CID 63099763
N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine
CID 107444697
methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate
CID 43478962
N'-cyclopropyl-N-[4-(furan-2-yl)butan-2-yl]-N'-methylethane-1,2-diamine
CID 55142379
N-cyclopropyl-4-[4-(furan-2-yl)butan-2-ylamino]butanamide
CID 79394921
4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)butan-2-amine
CID 43478949
N-but-2-ynyl-4-(furan-2-yl)butan-2-amine
CID 62311547
N-[(4-ethylcyclohexyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 55191977
N-(2-tert-butylsulfonylethyl)-4-(furan-2-yl)butan-2-amine
CID 103902199
N-[4-(furan-2-yl)butan-2-yl]-4-(propan-2-ylamino)butanamide
CID 61249924

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-[3-(2-methylpropoxy)propyl]butan-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-[3-(2-methylpropoxy)propyl]butan-2-amine (CID 43478908) is 4-(furan-2-yl)-N-[3-(2-methylpropoxy)propyl]butan-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-[3-(2-methylpropoxy)propyl]butan-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-[3-(2-methylpropoxy)propyl]butan-2-amine is CC(C)COCCCNC(C)CCc1ccco1.
What is the InChIKey of 4-(furan-2-yl)-N-[3-(2-methylpropoxy)propyl]butan-2-amine?
The InChIKey is LRVDBHOLQISPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-13(2)12-17-10-5-9-16-14(3)7-8-15-6-4-11-18-15/h4,6,11,13-14,16H,5,7-10,12H2,1-3H3.
What are the key properties of 4-(furan-2-yl)-N-[3-(2-methylpropoxy)propyl]butan-2-amine?
4-(furan-2-yl)-N-[3-(2-methylpropoxy)propyl]butan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 3.25, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-[3-(2-methylpropoxy)propyl]butan-2-amine is sourced from PubChem (CID 43478908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).