N-methyl-1-(1,4,7,11,14-pentathiacycloheptadec-12-yl)methanamine

C14H29NS5 — CID 11014152

IUPACN-methyl-1-(1,4,7,11,14-pentathiacycloheptadec-12-yl)methanamine
SMILESCNCC1CSCCCSCCSCCSCCCS1
InChIInChI=1S/C14H29NS5/c1-15-12-14-13-19-6-2-4-16-8-10-18-11-9-17-5-3-7-20-14/h14-15H,2-13H2,1H3
InChIKeyUAQWINGPXLMYPV-UHFFFAOYSA-N
MW371.73 g/mol
LogP4.03
Rot. Bonds2

About N-methyl-1-(1,4,7,11,14-pentathiacycloheptadec-12-yl)methanamine

N-methyl-1-(1,4,7,11,14-pentathiacycloheptadec-12-yl)methanamine (PubChem CID 11014152) has the molecular formula C14H29NS5 and a molecular weight of 371.73 g/mol. Its IUPAC name is N-methyl-1-(1,4,7,11,14-pentathiacycloheptadec-12-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1,4,7,11,14-pentathiacycloheptadec-12-yl)methanamine
PubChem CID11014152
Molecular FormulaC14H29NS5
Molecular Weight371.73 g/mol
Exact Mass371.09
IUPAC NameN-methyl-1-(1,4,7,11,14-pentathiacycloheptadec-12-yl)methanamine
SMILESCNCC1CSCCCSCCSCCSCCCS1
InChIInChI=1S/C14H29NS5/c1-15-12-14-13-19-6-2-4-16-8-10-18-11-9-17-5-3-7-20-14/h14-15H,2-13H2,1H3
InChIKeyUAQWINGPXLMYPV-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.73
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,4,7,11,14-pentathiacycloheptadec-12-yl)methanamine?
The IUPAC name of N-methyl-1-(1,4,7,11,14-pentathiacycloheptadec-12-yl)methanamine (CID 11014152) is N-methyl-1-(1,4,7,11,14-pentathiacycloheptadec-12-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1,4,7,11,14-pentathiacycloheptadec-12-yl)methanamine?
The canonical SMILES for N-methyl-1-(1,4,7,11,14-pentathiacycloheptadec-12-yl)methanamine is CNCC1CSCCCSCCSCCSCCCS1.
What is the InChIKey of N-methyl-1-(1,4,7,11,14-pentathiacycloheptadec-12-yl)methanamine?
The InChIKey is UAQWINGPXLMYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS5/c1-15-12-14-13-19-6-2-4-16-8-10-18-11-9-17-5-3-7-20-14/h14-15H,2-13H2,1H3.
What are the key properties of N-methyl-1-(1,4,7,11,14-pentathiacycloheptadec-12-yl)methanamine?
N-methyl-1-(1,4,7,11,14-pentathiacycloheptadec-12-yl)methanamine has a molecular weight of 371.73 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,4,7,11,14-pentathiacycloheptadec-12-yl)methanamine is sourced from PubChem (CID 11014152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).