(2-dodecylthiolan-2-yl)methanamine

C17H35NS — CID 83174026

IUPAC(2-dodecylthiolan-2-yl)methanamine
SMILESCCCCCCCCCCCCC1(CN)CCCS1
InChIInChI=1S/C17H35NS/c1-2-3-4-5-6-7-8-9-10-11-13-17(16-18)14-12-15-19-17/h2-16,18H2,1H3
InChIKeyKJTVHOTVBHXXSR-UHFFFAOYSA-N
MW285.54 g/mol
LogP5.52
Rot. Bonds12

About (2-dodecylthiolan-2-yl)methanamine

(2-dodecylthiolan-2-yl)methanamine (PubChem CID 83174026) has the molecular formula C17H35NS and a molecular weight of 285.54 g/mol. Its IUPAC name is (2-dodecylthiolan-2-yl)methanamine.

Molecular Properties

Compound Name(2-dodecylthiolan-2-yl)methanamine
PubChem CID83174026
Molecular FormulaC17H35NS
Molecular Weight285.54 g/mol
Exact Mass285.25
IUPAC Name(2-dodecylthiolan-2-yl)methanamine
SMILESCCCCCCCCCCCCC1(CN)CCCS1
InChIInChI=1S/C17H35NS/c1-2-3-4-5-6-7-8-9-10-11-13-17(16-18)14-12-15-19-17/h2-16,18H2,1H3
InChIKeyKJTVHOTVBHXXSR-UHFFFAOYSA-N
XLogP5.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.54
LogP ≤ 55.52
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

[2-[2-(3-methoxypropoxy)ethyl]thiolan-2-yl]methanamine
CID 103184863
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]thiolan-2-yl]methanamine
CID 104568555
1-decylcyclopropan-1-amine
CID 66023987
1-heptylcycloheptan-1-amine
CID 63407607
(1-pentylcyclopentyl)methanamine
CID 62725889
1-pentylcyclopropan-1-amine
CID 66023547
1,1,2,2-tetra(undecyl)cyclopentane
CID 18757655
1,1,2,2-tetra(pentadecyl)cyclohexane
CID 175058240
1,1-dioctylcyclopentane
CID 54295272
1,1-dihexadecylcyclopentane
CID 141255150
1,1-di(nonyl)cyclopentane
CID 154318487
1-(2-methylthiolan-2-yl)hexan-1-amine
CID 105129649

Frequently Asked Questions

What is the IUPAC name of (2-dodecylthiolan-2-yl)methanamine?
The IUPAC name of (2-dodecylthiolan-2-yl)methanamine (CID 83174026) is (2-dodecylthiolan-2-yl)methanamine.
What is the SMILES notation for (2-dodecylthiolan-2-yl)methanamine?
The canonical SMILES for (2-dodecylthiolan-2-yl)methanamine is CCCCCCCCCCCCC1(CN)CCCS1.
What is the InChIKey of (2-dodecylthiolan-2-yl)methanamine?
The InChIKey is KJTVHOTVBHXXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NS/c1-2-3-4-5-6-7-8-9-10-11-13-17(16-18)14-12-15-19-17/h2-16,18H2,1H3.
What are the key properties of (2-dodecylthiolan-2-yl)methanamine?
(2-dodecylthiolan-2-yl)methanamine has a molecular weight of 285.54 g/mol, XLogP of 5.52, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-dodecylthiolan-2-yl)methanamine is sourced from PubChem (CID 83174026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).