cycloheptyl-(3-ethyl-1,4-dithian-2-yl)methanamine

C14H27NS2 — CID 82931537

IUPACcycloheptyl-(3-ethyl-1,4-dithian-2-yl)methanamine
SMILESCCC1SCCSC1C(N)C1CCCCCC1
InChIInChI=1S/C14H27NS2/c1-2-12-14(17-10-9-16-12)13(15)11-7-5-3-4-6-8-11/h11-14H,2-10,15H2,1H3
InChIKeyVBOPVZIRQFFSHC-UHFFFAOYSA-N
MW273.51 g/mol
LogP3.91
Rot. Bonds3

About cycloheptyl-(3-ethyl-1,4-dithian-2-yl)methanamine

cycloheptyl-(3-ethyl-1,4-dithian-2-yl)methanamine (PubChem CID 82931537) has the molecular formula C14H27NS2 and a molecular weight of 273.51 g/mol. Its IUPAC name is cycloheptyl-(3-ethyl-1,4-dithian-2-yl)methanamine.

Molecular Properties

Compound Namecycloheptyl-(3-ethyl-1,4-dithian-2-yl)methanamine
PubChem CID82931537
Molecular FormulaC14H27NS2
Molecular Weight273.51 g/mol
Exact Mass273.16
IUPAC Namecycloheptyl-(3-ethyl-1,4-dithian-2-yl)methanamine
SMILESCCC1SCCSC1C(N)C1CCCCCC1
InChIInChI=1S/C14H27NS2/c1-2-12-14(17-10-9-16-12)13(15)11-7-5-3-4-6-8-11/h11-14H,2-10,15H2,1H3
InChIKeyVBOPVZIRQFFSHC-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanamine
CID 113299690
(3,4-dimethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanamine
CID 113299669
2-cyclopropyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine
CID 115387594
(3-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol
CID 113299467
(2-ethylcyclohexyl)-(3-ethyl-1,4-dithian-2-yl)methanol
CID 113299423
1-(3-ethyl-1,4-dithian-2-yl)but-3-yn-1-amine
CID 115387674
cycloheptyl(cyclohexyl)methanamine
CID 65399873
1-(3-ethyl-1,4-dithian-2-yl)pent-3-yn-1-amine
CID 115387463
N-[(3-ethyl-1,4-dithian-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 107136767
(3-ethyl-1,4-dithian-2-yl)-(2-methylthiophen-3-yl)methanamine
CID 102833588
[1-(3-ethyl-1,4-dithian-2-yl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105259825
(3-ethyl-1,4-dithian-2-yl)-(4-methylphenyl)methanamine
CID 115387500

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(3-ethyl-1,4-dithian-2-yl)methanamine?
The IUPAC name of cycloheptyl-(3-ethyl-1,4-dithian-2-yl)methanamine (CID 82931537) is cycloheptyl-(3-ethyl-1,4-dithian-2-yl)methanamine.
What is the SMILES notation for cycloheptyl-(3-ethyl-1,4-dithian-2-yl)methanamine?
The canonical SMILES for cycloheptyl-(3-ethyl-1,4-dithian-2-yl)methanamine is CCC1SCCSC1C(N)C1CCCCCC1.
What is the InChIKey of cycloheptyl-(3-ethyl-1,4-dithian-2-yl)methanamine?
The InChIKey is VBOPVZIRQFFSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS2/c1-2-12-14(17-10-9-16-12)13(15)11-7-5-3-4-6-8-11/h11-14H,2-10,15H2,1H3.
What are the key properties of cycloheptyl-(3-ethyl-1,4-dithian-2-yl)methanamine?
cycloheptyl-(3-ethyl-1,4-dithian-2-yl)methanamine has a molecular weight of 273.51 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(3-ethyl-1,4-dithian-2-yl)methanamine is sourced from PubChem (CID 82931537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).