(7S)-7-methyl-1,5-diazacyclotetradecane

C13H28N2 — CID 11171873

IUPAC(7S)-7-methyl-1,5-diazacyclotetradecane
SMILESC[C@H]1CCCCCCCNCCCNC1
InChIInChI=1S/C13H28N2/c1-13-8-5-3-2-4-6-9-14-10-7-11-15-12-13/h13-15H,2-12H2,1H3/t13-/m0/s1
InChIKeyOFPMSWKVQNUTSL-ZDUSSCGKSA-N
MW212.38 g/mol
LogP2.55
Rot. Bonds

About (7S)-7-methyl-1,5-diazacyclotetradecane

(7S)-7-methyl-1,5-diazacyclotetradecane (PubChem CID 11171873) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is (7S)-7-methyl-1,5-diazacyclotetradecane.

Molecular Properties

Compound Name(7S)-7-methyl-1,5-diazacyclotetradecane
PubChem CID11171873
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name(7S)-7-methyl-1,5-diazacyclotetradecane
SMILESC[C@H]1CCCCCCCNCCCNC1
InChIInChI=1S/C13H28N2/c1-13-8-5-3-2-4-6-9-14-10-7-11-15-12-13/h13-15H,2-12H2,1H3/t13-/m0/s1
InChIKeyOFPMSWKVQNUTSL-ZDUSSCGKSA-N
XLogP2.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-methyl-1,5-diazacyclotetradecane?
The IUPAC name of (7S)-7-methyl-1,5-diazacyclotetradecane (CID 11171873) is (7S)-7-methyl-1,5-diazacyclotetradecane.
What is the SMILES notation for (7S)-7-methyl-1,5-diazacyclotetradecane?
The canonical SMILES for (7S)-7-methyl-1,5-diazacyclotetradecane is C[C@H]1CCCCCCCNCCCNC1.
What is the InChIKey of (7S)-7-methyl-1,5-diazacyclotetradecane?
The InChIKey is OFPMSWKVQNUTSL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H28N2/c1-13-8-5-3-2-4-6-9-14-10-7-11-15-12-13/h13-15H,2-12H2,1H3/t13-/m0/s1.
What are the key properties of (7S)-7-methyl-1,5-diazacyclotetradecane?
(7S)-7-methyl-1,5-diazacyclotetradecane has a molecular weight of 212.38 g/mol, XLogP of 2.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-methyl-1,5-diazacyclotetradecane is sourced from PubChem (CID 11171873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).