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

C12H23NS — CID 105164036

IUPACN-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine
SMILESC=C(CC)CC(NC)C1(C)CCCS1
InChIInChI=1S/C12H23NS/c1-5-10(2)9-11(13-4)12(3)7-6-8-14-12/h11,13H,2,5-9H2,1,3-4H3
InChIKeyXZTDNBCIBCINMF-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.22
Rot. Bonds5

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

N-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine (PubChem CID 105164036) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is N-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine
PubChem CID105164036
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC NameN-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine
SMILESC=C(CC)CC(NC)C1(C)CCCS1
InChIInChI=1S/C12H23NS/c1-5-10(2)9-11(13-4)12(3)7-6-8-14-12/h11,13H,2,5-9H2,1,3-4H3
InChIKeyXZTDNBCIBCINMF-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.22
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-(2-methylthiolan-2-yl)pentan-1-amine?
The IUPAC name of N-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine (CID 105164036) is N-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine.
What is the SMILES notation for N-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine?
The canonical SMILES for N-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine is C=C(CC)CC(NC)C1(C)CCCS1.
What is the InChIKey of N-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine?
The InChIKey is XZTDNBCIBCINMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-5-10(2)9-11(13-4)12(3)7-6-8-14-12/h11,13H,2,5-9H2,1,3-4H3.
What are the key properties of N-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine?
N-methyl-3-methylidene-1-(2-methylthiolan-2-yl)pentan-1-amine has a molecular weight of 213.39 g/mol, XLogP of 3.22, 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-(2-methylthiolan-2-yl)pentan-1-amine is sourced from PubChem (CID 105164036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).