N-[2-(furan-2-ylmethylsulfanyl)ethyl]pentan-2-amine

C12H21NOS — CID 62577157

IUPACN-[2-(furan-2-ylmethylsulfanyl)ethyl]pentan-2-amine
SMILESCCCC(C)NCCSCc1ccco1
InChIInChI=1S/C12H21NOS/c1-3-5-11(2)13-7-9-15-10-12-6-4-8-14-12/h4,6,8,11,13H,3,5,7,9-10H2,1-2H3
InChIKeyNVYVMPJCNSRYQJ-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.29
Rot. Bonds8

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

N-[2-(furan-2-ylmethylsulfanyl)ethyl]pentan-2-amine (PubChem CID 62577157) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]pentan-2-amine
PubChem CID62577157
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]pentan-2-amine
SMILESCCCC(C)NCCSCc1ccco1
InChIInChI=1S/C12H21NOS/c1-3-5-11(2)13-7-9-15-10-12-6-4-8-14-12/h4,6,8,11,13H,3,5,7,9-10H2,1-2H3
InChIKeyNVYVMPJCNSRYQJ-UHFFFAOYSA-N
XLogP3.29
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.29
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-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methylbutan-2-amine
CID 62578853
1-cyclopropyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamine
CID 62579053
N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419
4-(furan-2-ylmethylsulfanyl)butan-2-amine
CID 64611326
N-[4-(furan-2-yl)butan-2-yl]-2-methylpentan-1-amine
CID 43205393
N-[2-(furan-2-ylmethylsulfanyl)-1-phenylethyl]propan-1-amine
CID 64609476
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60690765
1-ethyl-3-[2-(furan-2-ylmethylsulfanyl)ethyl]thiourea
CID 8769278
methyl 2-amino-4-(furan-2-ylmethylsulfanyl)butanoate
CID 63034284
2-(furan-2-ylmethylsulfanyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663461
3-(furan-2-ylmethylsulfanyl)-N-propylheptan-4-amine
CID 64609276
2-(3-methylhexyl)furan
CID 12840321

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]pentan-2-amine?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]pentan-2-amine (CID 62577157) is N-[2-(furan-2-ylmethylsulfanyl)ethyl]pentan-2-amine.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)ethyl]pentan-2-amine?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)ethyl]pentan-2-amine is CCCC(C)NCCSCc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)ethyl]pentan-2-amine?
The InChIKey is NVYVMPJCNSRYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-3-5-11(2)13-7-9-15-10-12-6-4-8-14-12/h4,6,8,11,13H,3,5,7,9-10H2,1-2H3.
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)ethyl]pentan-2-amine?
N-[2-(furan-2-ylmethylsulfanyl)ethyl]pentan-2-amine has a molecular weight of 227.37 g/mol, XLogP of 3.29, 8 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]pentan-2-amine is sourced from PubChem (CID 62577157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).