5-[5-(aminomethyl)furan-3-yl]-N,N-dimethylpentan-1-amine;2-methylpropane

C16H32N2O — CID 142883515

IUPAC5-[5-(aminomethyl)furan-3-yl]-N,N-dimethylpentan-1-amine;2-methylpropane
SMILESCC(C)C.CN(C)CCCCCc1coc(CN)c1
InChIInChI=1S/C12H22N2O.C4H10/c1-14(2)7-5-3-4-6-11-8-12(9-13)15-10-11;1-4(2)3/h8,10H,3-7,9,13H2,1-2H3;4H,1-3H3
InChIKeyDVUXOKLKXLOJAM-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.67
Rot. Bonds7

About 5-[5-(aminomethyl)furan-3-yl]-N,N-dimethylpentan-1-amine;2-methylpropane

5-[5-(aminomethyl)furan-3-yl]-N,N-dimethylpentan-1-amine;2-methylpropane (PubChem CID 142883515) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 5-[5-(aminomethyl)furan-3-yl]-N,N-dimethylpentan-1-amine;2-methylpropane.

Molecular Properties

Compound Name5-[5-(aminomethyl)furan-3-yl]-N,N-dimethylpentan-1-amine;2-methylpropane
PubChem CID142883515
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name5-[5-(aminomethyl)furan-3-yl]-N,N-dimethylpentan-1-amine;2-methylpropane
SMILESCC(C)C.CN(C)CCCCCc1coc(CN)c1
InChIInChI=1S/C12H22N2O.C4H10/c1-14(2)7-5-3-4-6-11-8-12(9-13)15-10-11;1-4(2)3/h8,10H,3-7,9,13H2,1-2H3;4H,1-3H3
InChIKeyDVUXOKLKXLOJAM-UHFFFAOYSA-N
XLogP3.67
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.67
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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Frequently Asked Questions

What is the IUPAC name of 5-[5-(aminomethyl)furan-3-yl]-N,N-dimethylpentan-1-amine;2-methylpropane?
The IUPAC name of 5-[5-(aminomethyl)furan-3-yl]-N,N-dimethylpentan-1-amine;2-methylpropane (CID 142883515) is 5-[5-(aminomethyl)furan-3-yl]-N,N-dimethylpentan-1-amine;2-methylpropane.
What is the SMILES notation for 5-[5-(aminomethyl)furan-3-yl]-N,N-dimethylpentan-1-amine;2-methylpropane?
The canonical SMILES for 5-[5-(aminomethyl)furan-3-yl]-N,N-dimethylpentan-1-amine;2-methylpropane is CC(C)C.CN(C)CCCCCc1coc(CN)c1.
What is the InChIKey of 5-[5-(aminomethyl)furan-3-yl]-N,N-dimethylpentan-1-amine;2-methylpropane?
The InChIKey is DVUXOKLKXLOJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.C4H10/c1-14(2)7-5-3-4-6-11-8-12(9-13)15-10-11;1-4(2)3/h8,10H,3-7,9,13H2,1-2H3;4H,1-3H3.
What are the key properties of 5-[5-(aminomethyl)furan-3-yl]-N,N-dimethylpentan-1-amine;2-methylpropane?
5-[5-(aminomethyl)furan-3-yl]-N,N-dimethylpentan-1-amine;2-methylpropane has a molecular weight of 268.44 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(aminomethyl)furan-3-yl]-N,N-dimethylpentan-1-amine;2-methylpropane is sourced from PubChem (CID 142883515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).