N-[(2-methylthiolan-2-yl)methyl]decan-1-amine

C16H33NS — CID 80721703

IUPACN-[(2-methylthiolan-2-yl)methyl]decan-1-amine
SMILESCCCCCCCCCCNCC1(C)CCCS1
InChIInChI=1S/C16H33NS/c1-3-4-5-6-7-8-9-10-13-17-15-16(2)12-11-14-18-16/h17H,3-15H2,1-2H3
InChIKeyHDEMBKLYNBRWIO-UHFFFAOYSA-N
MW271.51 g/mol
LogP5.00
Rot. Bonds11

About N-[(2-methylthiolan-2-yl)methyl]decan-1-amine

N-[(2-methylthiolan-2-yl)methyl]decan-1-amine (PubChem CID 80721703) has the molecular formula C16H33NS and a molecular weight of 271.51 g/mol. Its IUPAC name is N-[(2-methylthiolan-2-yl)methyl]decan-1-amine.

Molecular Properties

Compound NameN-[(2-methylthiolan-2-yl)methyl]decan-1-amine
PubChem CID80721703
Molecular FormulaC16H33NS
Molecular Weight271.51 g/mol
Exact Mass271.23
IUPAC NameN-[(2-methylthiolan-2-yl)methyl]decan-1-amine
SMILESCCCCCCCCCCNCC1(C)CCCS1
InChIInChI=1S/C16H33NS/c1-3-4-5-6-7-8-9-10-13-17-15-16(2)12-11-14-18-16/h17H,3-15H2,1-2H3
InChIKeyHDEMBKLYNBRWIO-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.51
LogP ≤ 55.00
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

N-[(2-methylthiolan-2-yl)methyl]hept-6-en-1-amine
CID 107006980
4-[(2-methylthiolan-2-yl)methylamino]butanoic acid
CID 80721729
3-(2-methoxyethoxy)-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 103409591
N-[(2-methylthiolan-2-yl)methyl]but-3-en-1-amine
CID 80721859
2,2-dimethyl-5-[(2-methylthiolan-2-yl)methylamino]pentanenitrile
CID 80721565
N-[(1-methylcyclopropyl)methyl]hexan-1-amine
CID 107165769
2-methyl-N-[(2-methylthiolan-2-yl)methyl]butan-1-amine
CID 80722889
3-imidazol-1-yl-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 80721869
[1-[(hexylamino)methyl]cyclopentyl]methanol
CID 115358683
N-[[1-(chloromethyl)cyclopropyl]methyl]hexan-1-amine
CID 115455602
[1-[(hexylamino)methyl]cyclopropyl]methanol
CID 115454400
1-[(dodecylamino)methyl]cyclopentan-1-ol
CID 65108837

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiolan-2-yl)methyl]decan-1-amine?
The IUPAC name of N-[(2-methylthiolan-2-yl)methyl]decan-1-amine (CID 80721703) is N-[(2-methylthiolan-2-yl)methyl]decan-1-amine.
What is the SMILES notation for N-[(2-methylthiolan-2-yl)methyl]decan-1-amine?
The canonical SMILES for N-[(2-methylthiolan-2-yl)methyl]decan-1-amine is CCCCCCCCCCNCC1(C)CCCS1.
What is the InChIKey of N-[(2-methylthiolan-2-yl)methyl]decan-1-amine?
The InChIKey is HDEMBKLYNBRWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NS/c1-3-4-5-6-7-8-9-10-13-17-15-16(2)12-11-14-18-16/h17H,3-15H2,1-2H3.
What are the key properties of N-[(2-methylthiolan-2-yl)methyl]decan-1-amine?
N-[(2-methylthiolan-2-yl)methyl]decan-1-amine has a molecular weight of 271.51 g/mol, XLogP of 5.00, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiolan-2-yl)methyl]decan-1-amine is sourced from PubChem (CID 80721703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).