N-ethyl-N-propylsulfanylpentan-1-amine

C10H23NS — CID 142152736

IUPACN-ethyl-N-propylsulfanylpentan-1-amine
SMILESCCCCCN(CC)SCCC
InChIInChI=1S/C10H23NS/c1-4-7-8-9-11(6-3)12-10-5-2/h4-10H2,1-3H3
InChIKeyQVEHXVWVFKFZKS-UHFFFAOYSA-N
MW189.37 g/mol
LogP3.56
Rot. Bonds8

About N-ethyl-N-propylsulfanylpentan-1-amine

N-ethyl-N-propylsulfanylpentan-1-amine (PubChem CID 142152736) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is N-ethyl-N-propylsulfanylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-propylsulfanylpentan-1-amine
PubChem CID142152736
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC NameN-ethyl-N-propylsulfanylpentan-1-amine
SMILESCCCCCN(CC)SCCC
InChIInChI=1S/C10H23NS/c1-4-7-8-9-11(6-3)12-10-5-2/h4-10H2,1-3H3
InChIKeyQVEHXVWVFKFZKS-UHFFFAOYSA-N
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propylsulfanylpentan-1-amine?
The IUPAC name of N-ethyl-N-propylsulfanylpentan-1-amine (CID 142152736) is N-ethyl-N-propylsulfanylpentan-1-amine.
What is the SMILES notation for N-ethyl-N-propylsulfanylpentan-1-amine?
The canonical SMILES for N-ethyl-N-propylsulfanylpentan-1-amine is CCCCCN(CC)SCCC.
What is the InChIKey of N-ethyl-N-propylsulfanylpentan-1-amine?
The InChIKey is QVEHXVWVFKFZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-4-7-8-9-11(6-3)12-10-5-2/h4-10H2,1-3H3.
What are the key properties of N-ethyl-N-propylsulfanylpentan-1-amine?
N-ethyl-N-propylsulfanylpentan-1-amine has a molecular weight of 189.37 g/mol, XLogP of 3.56, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propylsulfanylpentan-1-amine is sourced from PubChem (CID 142152736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).