N-methyl-3-methylidene-1-(thiolan-2-yl)pentan-1-amine

C11H21NS — CID 80621672

IUPACN-methyl-3-methylidene-1-(thiolan-2-yl)pentan-1-amine
SMILESC=C(CC)CC(NC)C1CCCS1
InChIInChI=1S/C11H21NS/c1-4-9(2)8-10(12-3)11-6-5-7-13-11/h10-12H,2,4-8H2,1,3H3
InChIKeyMEAHMRYSLAYRDZ-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.83
Rot. Bonds5

About N-methyl-3-methylidene-1-(thiolan-2-yl)pentan-1-amine

N-methyl-3-methylidene-1-(thiolan-2-yl)pentan-1-amine (PubChem CID 80621672) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is N-methyl-3-methylidene-1-(thiolan-2-yl)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-methylidene-1-(thiolan-2-yl)pentan-1-amine
PubChem CID80621672
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC NameN-methyl-3-methylidene-1-(thiolan-2-yl)pentan-1-amine
SMILESC=C(CC)CC(NC)C1CCCS1
InChIInChI=1S/C11H21NS/c1-4-9(2)8-10(12-3)11-6-5-7-13-11/h10-12H,2,4-8H2,1,3H3
InChIKeyMEAHMRYSLAYRDZ-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylidene-1-(thiolan-2-yl)pentan-1-amine?
The IUPAC name of N-methyl-3-methylidene-1-(thiolan-2-yl)pentan-1-amine (CID 80621672) is N-methyl-3-methylidene-1-(thiolan-2-yl)pentan-1-amine.
What is the SMILES notation for N-methyl-3-methylidene-1-(thiolan-2-yl)pentan-1-amine?
The canonical SMILES for N-methyl-3-methylidene-1-(thiolan-2-yl)pentan-1-amine is C=C(CC)CC(NC)C1CCCS1.
What is the InChIKey of N-methyl-3-methylidene-1-(thiolan-2-yl)pentan-1-amine?
The InChIKey is MEAHMRYSLAYRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-4-9(2)8-10(12-3)11-6-5-7-13-11/h10-12H,2,4-8H2,1,3H3.
What are the key properties of N-methyl-3-methylidene-1-(thiolan-2-yl)pentan-1-amine?
N-methyl-3-methylidene-1-(thiolan-2-yl)pentan-1-amine has a molecular weight of 199.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylidene-1-(thiolan-2-yl)pentan-1-amine is sourced from PubChem (CID 80621672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).