(2S,5R,8S,11S)-2,5,8,11-tetramethyl-1,4,7,10,13-pentazacyclopentadecane

C14H33N5 — CID 70323374

IUPAC(2S,5R,8S,11S)-2,5,8,11-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
SMILESC[C@@H]1CN[C@@H](C)CN[C@@H](C)CNCCN[C@@H](C)CN1
InChIInChI=1S/C14H33N5/c1-11-7-15-5-6-16-12(2)8-18-14(4)10-19-13(3)9-17-11/h11-19H,5-10H2,1-4H3/t11-,12-,13-,14+/m0/s1
InChIKeyQEXUQRRGDZFLET-XDQVBPFNSA-N
MW271.45 g/mol
LogP-0.50
Rot. Bonds

About (2S,5R,8S,11S)-2,5,8,11-tetramethyl-1,4,7,10,13-pentazacyclopentadecane

(2S,5R,8S,11S)-2,5,8,11-tetramethyl-1,4,7,10,13-pentazacyclopentadecane (PubChem CID 70323374) has the molecular formula C14H33N5 and a molecular weight of 271.45 g/mol. Its IUPAC name is (2S,5R,8S,11S)-2,5,8,11-tetramethyl-1,4,7,10,13-pentazacyclopentadecane.

Molecular Properties

Compound Name(2S,5R,8S,11S)-2,5,8,11-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
PubChem CID70323374
Molecular FormulaC14H33N5
Molecular Weight271.45 g/mol
Exact Mass271.27
IUPAC Name(2S,5R,8S,11S)-2,5,8,11-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
SMILESC[C@@H]1CN[C@@H](C)CN[C@@H](C)CNCCN[C@@H](C)CN1
InChIInChI=1S/C14H33N5/c1-11-7-15-5-6-16-12(2)8-18-14(4)10-19-13(3)9-17-11/h11-19H,5-10H2,1-4H3/t11-,12-,13-,14+/m0/s1
InChIKeyQEXUQRRGDZFLET-XDQVBPFNSA-N
XLogP-0.50
TPSA60.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 5-0.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,5R,8S,11S)-2,5,8,11-tetramethyl-1,4,7,10,13-pentazacyclopentadecane?
The IUPAC name of (2S,5R,8S,11S)-2,5,8,11-tetramethyl-1,4,7,10,13-pentazacyclopentadecane (CID 70323374) is (2S,5R,8S,11S)-2,5,8,11-tetramethyl-1,4,7,10,13-pentazacyclopentadecane.
What is the SMILES notation for (2S,5R,8S,11S)-2,5,8,11-tetramethyl-1,4,7,10,13-pentazacyclopentadecane?
The canonical SMILES for (2S,5R,8S,11S)-2,5,8,11-tetramethyl-1,4,7,10,13-pentazacyclopentadecane is C[C@@H]1CN[C@@H](C)CN[C@@H](C)CNCCN[C@@H](C)CN1.
What is the InChIKey of (2S,5R,8S,11S)-2,5,8,11-tetramethyl-1,4,7,10,13-pentazacyclopentadecane?
The InChIKey is QEXUQRRGDZFLET-XDQVBPFNSA-N. The full InChI is InChI=1S/C14H33N5/c1-11-7-15-5-6-16-12(2)8-18-14(4)10-19-13(3)9-17-11/h11-19H,5-10H2,1-4H3/t11-,12-,13-,14+/m0/s1.
What are the key properties of (2S,5R,8S,11S)-2,5,8,11-tetramethyl-1,4,7,10,13-pentazacyclopentadecane?
(2S,5R,8S,11S)-2,5,8,11-tetramethyl-1,4,7,10,13-pentazacyclopentadecane has a molecular weight of 271.45 g/mol, XLogP of -0.50, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R,8S,11S)-2,5,8,11-tetramethyl-1,4,7,10,13-pentazacyclopentadecane is sourced from PubChem (CID 70323374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).