N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methylpropan-1-amine

C11H19NOS — CID 7996867

IUPACN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCSCc1ccco1
InChIInChI=1S/C11H19NOS/c1-10(2)8-12-5-7-14-9-11-4-3-6-13-11/h3-4,6,10,12H,5,7-9H2,1-2H3
InChIKeyKBNLTZCFQUXSIG-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.76
Rot. Bonds7

About N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methylpropan-1-amine

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methylpropan-1-amine (PubChem CID 7996867) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methylpropan-1-amine
PubChem CID7996867
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCSCc1ccco1
InChIInChI=1S/C11H19NOS/c1-10(2)8-12-5-7-14-9-11-4-3-6-13-11/h3-4,6,10,12H,5,7-9H2,1-2H3
InChIKeyKBNLTZCFQUXSIG-UHFFFAOYSA-N
XLogP2.76
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.76
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 N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methylpropan-1-amine (CID 7996867) is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methylpropan-1-amine is CC(C)CNCCSCc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methylpropan-1-amine?
The InChIKey is KBNLTZCFQUXSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-10(2)8-12-5-7-14-9-11-4-3-6-13-11/h3-4,6,10,12H,5,7-9H2,1-2H3.
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methylpropan-1-amine?
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methylpropan-1-amine has a molecular weight of 213.35 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 7996867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).