N-[1-(furan-2-yl)propyl]-4-propan-2-yloxybutan-1-amine

C14H25NO2 — CID 106007637

IUPACN-[1-(furan-2-yl)propyl]-4-propan-2-yloxybutan-1-amine
SMILESCCC(NCCCCOC(C)C)c1ccco1
InChIInChI=1S/C14H25NO2/c1-4-13(14-8-7-11-17-14)15-9-5-6-10-16-12(2)3/h7-8,11-13,15H,4-6,9-10H2,1-3H3
InChIKeyBDCJWUWVWLNQKL-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.53
Rot. Bonds9

About N-[1-(furan-2-yl)propyl]-4-propan-2-yloxybutan-1-amine

N-[1-(furan-2-yl)propyl]-4-propan-2-yloxybutan-1-amine (PubChem CID 106007637) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propyl]-4-propan-2-yloxybutan-1-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propyl]-4-propan-2-yloxybutan-1-amine
PubChem CID106007637
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[1-(furan-2-yl)propyl]-4-propan-2-yloxybutan-1-amine
SMILESCCC(NCCCCOC(C)C)c1ccco1
InChIInChI=1S/C14H25NO2/c1-4-13(14-8-7-11-17-14)15-9-5-6-10-16-12(2)3/h7-8,11-13,15H,4-6,9-10H2,1-3H3
InChIKeyBDCJWUWVWLNQKL-UHFFFAOYSA-N
XLogP3.53
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.53
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

N'-[1-(furan-2-yl)propyl]butane-1,4-diamine
CID 62633443
1-(furan-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62632133
N-[1-(furan-2-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79574726
N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine
CID 62633441
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 106007751
1-(furan-2-yl)-N-methyl-3-propan-2-yloxypropan-1-amine
CID 114997379
1-(furan-2-yl)-N-[3-(oxolan-2-ylmethoxy)propyl]propan-1-amine
CID 62632149
2-[2-[1-(furan-2-yl)propylamino]ethoxy]acetamide
CID 106235398
N-ethyl-N-[3-[1-(furan-2-yl)propylamino]propyl]methanesulfonamide
CID 55098017
1-phenyl-N-(4-propan-2-yloxybutyl)hexan-1-amine
CID 106007749
3-[1-(furan-2-yl)propylamino]-N-propan-2-ylpropanamide
CID 113409686
2-[1-(furan-2-yl)propylamino]ethylurea
CID 83109971

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propyl]-4-propan-2-yloxybutan-1-amine?
The IUPAC name of N-[1-(furan-2-yl)propyl]-4-propan-2-yloxybutan-1-amine (CID 106007637) is N-[1-(furan-2-yl)propyl]-4-propan-2-yloxybutan-1-amine.
What is the SMILES notation for N-[1-(furan-2-yl)propyl]-4-propan-2-yloxybutan-1-amine?
The canonical SMILES for N-[1-(furan-2-yl)propyl]-4-propan-2-yloxybutan-1-amine is CCC(NCCCCOC(C)C)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)propyl]-4-propan-2-yloxybutan-1-amine?
The InChIKey is BDCJWUWVWLNQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-13(14-8-7-11-17-14)15-9-5-6-10-16-12(2)3/h7-8,11-13,15H,4-6,9-10H2,1-3H3.
What are the key properties of N-[1-(furan-2-yl)propyl]-4-propan-2-yloxybutan-1-amine?
N-[1-(furan-2-yl)propyl]-4-propan-2-yloxybutan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propyl]-4-propan-2-yloxybutan-1-amine is sourced from PubChem (CID 106007637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).