6-(1,1-dimethylthiolan-2-yl)-N-methylhex-1-en-2-amine

C13H27NS — CID 138630950

IUPAC6-(1,1-dimethylthiolan-2-yl)-N-methylhex-1-en-2-amine
SMILESC=C(CCCCC1CCCS1(C)C)NC
InChIInChI=1S/C13H27NS/c1-12(14-2)8-5-6-9-13-10-7-11-15(13,3)4/h13-14H,1,5-11H2,2-4H3
InChIKeyXKLKXGLDPSUNSH-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.51
Rot. Bonds6

About 6-(1,1-dimethylthiolan-2-yl)-N-methylhex-1-en-2-amine

6-(1,1-dimethylthiolan-2-yl)-N-methylhex-1-en-2-amine (PubChem CID 138630950) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is 6-(1,1-dimethylthiolan-2-yl)-N-methylhex-1-en-2-amine.

Molecular Properties

Compound Name6-(1,1-dimethylthiolan-2-yl)-N-methylhex-1-en-2-amine
PubChem CID138630950
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC Name6-(1,1-dimethylthiolan-2-yl)-N-methylhex-1-en-2-amine
SMILESC=C(CCCCC1CCCS1(C)C)NC
InChIInChI=1S/C13H27NS/c1-12(14-2)8-5-6-9-13-10-7-11-15(13,3)4/h13-14H,1,5-11H2,2-4H3
InChIKeyXKLKXGLDPSUNSH-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-(1,1-dimethylthiolan-2-yl)-N-methylhex-1-en-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-butyl-6-(dithiolan-3-yl)hex-1-en-2-amine
CID 89065631
N-methyl-1-(thiolan-2-yl)ethenamine
CID 129141689
2-(5-aminohex-5-enyl)-3-N-ethenyl-4-N-methylthiolane-3,4-diamine
CID 153591234
(Z)-2-(methylamino)dec-1-ene-1-thiol
CID 156545787
Methanamine;4-(methylamino)pent-4-ene-1-thiol;2-methylidenethiolane
CID 161288691
7-methylsulfanyl-N-nonyldec-1-en-2-amine
CID 166809385
N-methyl-5-methylidene-8-methylsulfanyloct-1-en-2-amine
CID 167303338
N-methyl-5,6-dimethylidene-8-methylsulfanyloct-1-en-2-amine
CID 167311253
N-methyl-3-(4-methylsulfanyl-2,3-dihydrothiophen-2-yl)prop-1-en-2-amine
CID 170237475
N-methyl-1-(thiolan-2-yl)pent-4-en-1-amine
CID 80621534
N-methyl-3-methylidene-1-(thiolan-2-yl)pentan-1-amine
CID 80621672
N-methyl-1-(thiolan-2-yl)hex-5-en-1-amine
CID 80622022

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dimethylthiolan-2-yl)-N-methylhex-1-en-2-amine?
The IUPAC name of 6-(1,1-dimethylthiolan-2-yl)-N-methylhex-1-en-2-amine (CID 138630950) is 6-(1,1-dimethylthiolan-2-yl)-N-methylhex-1-en-2-amine.
What is the SMILES notation for 6-(1,1-dimethylthiolan-2-yl)-N-methylhex-1-en-2-amine?
The canonical SMILES for 6-(1,1-dimethylthiolan-2-yl)-N-methylhex-1-en-2-amine is C=C(CCCCC1CCCS1(C)C)NC.
What is the InChIKey of 6-(1,1-dimethylthiolan-2-yl)-N-methylhex-1-en-2-amine?
The InChIKey is XKLKXGLDPSUNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-12(14-2)8-5-6-9-13-10-7-11-15(13,3)4/h13-14H,1,5-11H2,2-4H3.
What are the key properties of 6-(1,1-dimethylthiolan-2-yl)-N-methylhex-1-en-2-amine?
6-(1,1-dimethylthiolan-2-yl)-N-methylhex-1-en-2-amine has a molecular weight of 229.43 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dimethylthiolan-2-yl)-N-methylhex-1-en-2-amine is sourced from PubChem (CID 138630950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).