5-methyl-N-(thiolan-3-ylmethyl)hexan-1-amine

C12H25NS — CID 107132315

IUPAC5-methyl-N-(thiolan-3-ylmethyl)hexan-1-amine
SMILESCC(C)CCCCNCC1CCSC1
InChIInChI=1S/C12H25NS/c1-11(2)5-3-4-7-13-9-12-6-8-14-10-12/h11-13H,3-10H2,1-2H3
InChIKeyTYUBLWRIHFTDQA-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.16
Rot. Bonds7

About 5-methyl-N-(thiolan-3-ylmethyl)hexan-1-amine

5-methyl-N-(thiolan-3-ylmethyl)hexan-1-amine (PubChem CID 107132315) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 5-methyl-N-(thiolan-3-ylmethyl)hexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-(thiolan-3-ylmethyl)hexan-1-amine
PubChem CID107132315
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name5-methyl-N-(thiolan-3-ylmethyl)hexan-1-amine
SMILESCC(C)CCCCNCC1CCSC1
InChIInChI=1S/C12H25NS/c1-11(2)5-3-4-7-13-9-12-6-8-14-10-12/h11-13H,3-10H2,1-2H3
InChIKeyTYUBLWRIHFTDQA-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine
CID 107131174
5-(thiolan-3-ylmethylamino)pentanoic acid
CID 107296968
5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-1-amine
CID 115325962
N-(cyclohexylmethyl)-4-methylpentan-1-amine
CID 60743779
N'-cyclohexyl-N'-methyl-N-(thiolan-3-ylmethyl)propane-1,3-diamine
CID 107131892
N-butan-2-yl-3-(thiolan-3-ylmethylamino)propanamide
CID 107131903
7-methyl-N-(piperidin-3-ylmethyl)octan-1-amine
CID 80553700
methyl 3-(thiolan-3-ylmethylamino)propanoate
CID 107131384
N-methyl-1-(thiolan-3-yl)methanamine;molecular hydrogen
CID 145167793
3-[(4-methylpentylamino)methyl]cyclobutan-1-amine
CID 115214235
2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107131923
1-N-(cyclopropylmethyl)hexane-1,5-diamine
CID 82853515

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(thiolan-3-ylmethyl)hexan-1-amine?
The IUPAC name of 5-methyl-N-(thiolan-3-ylmethyl)hexan-1-amine (CID 107132315) is 5-methyl-N-(thiolan-3-ylmethyl)hexan-1-amine.
What is the SMILES notation for 5-methyl-N-(thiolan-3-ylmethyl)hexan-1-amine?
The canonical SMILES for 5-methyl-N-(thiolan-3-ylmethyl)hexan-1-amine is CC(C)CCCCNCC1CCSC1.
What is the InChIKey of 5-methyl-N-(thiolan-3-ylmethyl)hexan-1-amine?
The InChIKey is TYUBLWRIHFTDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-11(2)5-3-4-7-13-9-12-6-8-14-10-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 5-methyl-N-(thiolan-3-ylmethyl)hexan-1-amine?
5-methyl-N-(thiolan-3-ylmethyl)hexan-1-amine has a molecular weight of 215.41 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(thiolan-3-ylmethyl)hexan-1-amine is sourced from PubChem (CID 107132315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).