N-methyl-1-(thiolan-2-yl)hex-5-en-1-amine

C11H21NS — CID 80622022

IUPACN-methyl-1-(thiolan-2-yl)hex-5-en-1-amine
SMILESC=CCCCC(NC)C1CCCS1
InChIInChI=1S/C11H21NS/c1-3-4-5-7-10(12-2)11-8-6-9-13-11/h3,10-12H,1,4-9H2,2H3
InChIKeyXGXRSNGHBYFTGT-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.83
Rot. Bonds6

About N-methyl-1-(thiolan-2-yl)hex-5-en-1-amine

N-methyl-1-(thiolan-2-yl)hex-5-en-1-amine (PubChem CID 80622022) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is N-methyl-1-(thiolan-2-yl)hex-5-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-(thiolan-2-yl)hex-5-en-1-amine
PubChem CID80622022
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC NameN-methyl-1-(thiolan-2-yl)hex-5-en-1-amine
SMILESC=CCCCC(NC)C1CCCS1
InChIInChI=1S/C11H21NS/c1-3-4-5-7-10(12-2)11-8-6-9-13-11/h3,10-12H,1,4-9H2,2H3
InChIKeyXGXRSNGHBYFTGT-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(thiolan-2-yl)hex-5-en-1-amine?
The IUPAC name of N-methyl-1-(thiolan-2-yl)hex-5-en-1-amine (CID 80622022) is N-methyl-1-(thiolan-2-yl)hex-5-en-1-amine.
What is the SMILES notation for N-methyl-1-(thiolan-2-yl)hex-5-en-1-amine?
The canonical SMILES for N-methyl-1-(thiolan-2-yl)hex-5-en-1-amine is C=CCCCC(NC)C1CCCS1.
What is the InChIKey of N-methyl-1-(thiolan-2-yl)hex-5-en-1-amine?
The InChIKey is XGXRSNGHBYFTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-3-4-5-7-10(12-2)11-8-6-9-13-11/h3,10-12H,1,4-9H2,2H3.
What are the key properties of N-methyl-1-(thiolan-2-yl)hex-5-en-1-amine?
N-methyl-1-(thiolan-2-yl)hex-5-en-1-amine has a molecular weight of 199.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(thiolan-2-yl)hex-5-en-1-amine is sourced from PubChem (CID 80622022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).