(2R,3R,11R,12R,15Z)-2,3,11,12-tetramethyl-1,4,7,10,13-pentazacyclohexadeca-13,15-diene

C15H31N5 — CID 59529658

IUPAC(2R,3R,11R,12R,15Z)-2,3,11,12-tetramethyl-1,4,7,10,13-pentazacyclohexadeca-13,15-diene
SMILESC[C@H]1/N=C\C=C/N[C@H](C)[C@@H](C)NCCNCCN[C@@H]1C
InChIInChI=1S/C15H31N5/c1-12-14(3)19-10-8-16-9-11-20-15(4)13(2)18-7-5-6-17-12/h5-7,12-17,19-20H,8-11H2,1-4H3/b6-5-,18-7-/t12-,13-,14-,15-/m1/s1
InChIKeyCZCAYTCBYQACIC-VWEPNZFRSA-N
MW281.45 g/mol
LogP0.50
Rot. Bonds

About (2R,3R,11R,12R,15Z)-2,3,11,12-tetramethyl-1,4,7,10,13-pentazacyclohexadeca-13,15-diene

(2R,3R,11R,12R,15Z)-2,3,11,12-tetramethyl-1,4,7,10,13-pentazacyclohexadeca-13,15-diene (PubChem CID 59529658) has the molecular formula C15H31N5 and a molecular weight of 281.45 g/mol. Its IUPAC name is (2R,3R,11R,12R,15Z)-2,3,11,12-tetramethyl-1,4,7,10,13-pentazacyclohexadeca-13,15-diene.

Molecular Properties

Compound Name(2R,3R,11R,12R,15Z)-2,3,11,12-tetramethyl-1,4,7,10,13-pentazacyclohexadeca-13,15-diene
PubChem CID59529658
Molecular FormulaC15H31N5
Molecular Weight281.45 g/mol
Exact Mass281.26
IUPAC Name(2R,3R,11R,12R,15Z)-2,3,11,12-tetramethyl-1,4,7,10,13-pentazacyclohexadeca-13,15-diene
SMILESC[C@H]1/N=C\C=C/N[C@H](C)[C@@H](C)NCCNCCN[C@@H]1C
InChIInChI=1S/C15H31N5/c1-12-14(3)19-10-8-16-9-11-20-15(4)13(2)18-7-5-6-17-12/h5-7,12-17,19-20H,8-11H2,1-4H3/b6-5-,18-7-/t12-,13-,14-,15-/m1/s1
InChIKeyCZCAYTCBYQACIC-VWEPNZFRSA-N
XLogP0.50
TPSA60.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,11R,12R,15Z)-2,3,11,12-tetramethyl-1,4,7,10,13-pentazacyclohexadeca-13,15-diene?
The IUPAC name of (2R,3R,11R,12R,15Z)-2,3,11,12-tetramethyl-1,4,7,10,13-pentazacyclohexadeca-13,15-diene (CID 59529658) is (2R,3R,11R,12R,15Z)-2,3,11,12-tetramethyl-1,4,7,10,13-pentazacyclohexadeca-13,15-diene.
What is the SMILES notation for (2R,3R,11R,12R,15Z)-2,3,11,12-tetramethyl-1,4,7,10,13-pentazacyclohexadeca-13,15-diene?
The canonical SMILES for (2R,3R,11R,12R,15Z)-2,3,11,12-tetramethyl-1,4,7,10,13-pentazacyclohexadeca-13,15-diene is C[C@H]1/N=C\C=C/N[C@H](C)[C@@H](C)NCCNCCN[C@@H]1C.
What is the InChIKey of (2R,3R,11R,12R,15Z)-2,3,11,12-tetramethyl-1,4,7,10,13-pentazacyclohexadeca-13,15-diene?
The InChIKey is CZCAYTCBYQACIC-VWEPNZFRSA-N. The full InChI is InChI=1S/C15H31N5/c1-12-14(3)19-10-8-16-9-11-20-15(4)13(2)18-7-5-6-17-12/h5-7,12-17,19-20H,8-11H2,1-4H3/b6-5-,18-7-/t12-,13-,14-,15-/m1/s1.
What are the key properties of (2R,3R,11R,12R,15Z)-2,3,11,12-tetramethyl-1,4,7,10,13-pentazacyclohexadeca-13,15-diene?
(2R,3R,11R,12R,15Z)-2,3,11,12-tetramethyl-1,4,7,10,13-pentazacyclohexadeca-13,15-diene has a molecular weight of 281.45 g/mol, XLogP of 0.50, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,11R,12R,15Z)-2,3,11,12-tetramethyl-1,4,7,10,13-pentazacyclohexadeca-13,15-diene is sourced from PubChem (CID 59529658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).