4-(furan-2-yl)-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine

C14H25NO3 — CID 103178791

IUPAC4-(furan-2-yl)-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine
SMILESCOCCCOCCNC(C)CCc1ccco1
InChIInChI=1S/C14H25NO3/c1-13(6-7-14-5-3-11-18-14)15-8-12-17-10-4-9-16-2/h3,5,11,13,15H,4,6-10,12H2,1-2H3
InChIKeyUDCTUKRQMGLHHQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.24
Rot. Bonds11

About 4-(furan-2-yl)-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine

4-(furan-2-yl)-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine (PubChem CID 103178791) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine
PubChem CID103178791
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name4-(furan-2-yl)-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine
SMILESCOCCCOCCNC(C)CCc1ccco1
InChIInChI=1S/C14H25NO3/c1-13(6-7-14-5-3-11-18-14)15-8-12-17-10-4-9-16-2/h3,5,11,13,15H,4,6-10,12H2,1-2H3
InChIKeyUDCTUKRQMGLHHQ-UHFFFAOYSA-N
XLogP2.24
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.24
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-(furan-2-yl)-N-[3-(2-methylpropoxy)propyl]butan-2-amine
CID 43478908
N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419
4-(furan-2-yl)-N-(2-methoxyethoxy)butan-2-amine
CID 82714632
methyl 3-[4-(furan-2-yl)butan-2-ylamino]propanoate
CID 43478962
2-(2-methoxyethyl)furan
CID 19010334
2-amino-N-[4-(furan-2-yl)butan-2-yl]-5-methoxypentanamide
CID 81088081
N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine
CID 107444697
2-[4-(furan-2-yl)butan-2-ylamino]-4-methoxybutan-1-ol
CID 114210422
ethane;2-(3-methoxypropyl)furan
CID 144595726
N'-cyclopropyl-N-[4-(furan-2-yl)butan-2-yl]-N'-methylethane-1,2-diamine
CID 55142379
4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]butan-2-amine
CID 103777711
N-(2-butoxyethyl)-2-(furan-2-yl)ethanamine
CID 61483217

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine (CID 103178791) is 4-(furan-2-yl)-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine is COCCCOCCNC(C)CCc1ccco1.
What is the InChIKey of 4-(furan-2-yl)-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine?
The InChIKey is UDCTUKRQMGLHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(6-7-14-5-3-11-18-14)15-8-12-17-10-4-9-16-2/h3,5,11,13,15H,4,6-10,12H2,1-2H3.
What are the key properties of 4-(furan-2-yl)-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine?
4-(furan-2-yl)-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 2.24, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine is sourced from PubChem (CID 103178791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).