(1R,4S,7R,12S,15R)-4,7,12-trimethyl-2,5,8,11,14-pentazabicyclo[13.5.0]icosane

C18H39N5 — CID 143273586

IUPAC(1R,4S,7R,12S,15R)-4,7,12-trimethyl-2,5,8,11,14-pentazabicyclo[13.5.0]icosane
SMILESC[C@@H]1CN[C@@H](C)CN[C@@H]2CCCCC[C@H]2NC[C@H](C)NCCN1
InChIInChI=1S/C18H39N5/c1-14-11-21-16(3)13-23-18-8-6-4-5-7-17(18)22-12-15(2)20-10-9-19-14/h14-23H,4-13H2,1-3H3/t14-,15+,16+,17-,18-/m1/s1
InChIKeySBWBUKNZKIITQZ-DISONHOPSA-N
MW325.55 g/mol
LogP0.81
Rot. Bonds

About (1R,4S,7R,12S,15R)-4,7,12-trimethyl-2,5,8,11,14-pentazabicyclo[13.5.0]icosane

(1R,4S,7R,12S,15R)-4,7,12-trimethyl-2,5,8,11,14-pentazabicyclo[13.5.0]icosane (PubChem CID 143273586) has the molecular formula C18H39N5 and a molecular weight of 325.55 g/mol. Its IUPAC name is (1R,4S,7R,12S,15R)-4,7,12-trimethyl-2,5,8,11,14-pentazabicyclo[13.5.0]icosane.

Molecular Properties

Compound Name(1R,4S,7R,12S,15R)-4,7,12-trimethyl-2,5,8,11,14-pentazabicyclo[13.5.0]icosane
PubChem CID143273586
Molecular FormulaC18H39N5
Molecular Weight325.55 g/mol
Exact Mass325.32
IUPAC Name(1R,4S,7R,12S,15R)-4,7,12-trimethyl-2,5,8,11,14-pentazabicyclo[13.5.0]icosane
SMILESC[C@@H]1CN[C@@H](C)CN[C@@H]2CCCCC[C@H]2NC[C@H](C)NCCN1
InChIInChI=1S/C18H39N5/c1-14-11-21-16(3)13-23-18-8-6-4-5-7-17(18)22-12-15(2)20-10-9-19-14/h14-23H,4-13H2,1-3H3/t14-,15+,16+,17-,18-/m1/s1
InChIKeySBWBUKNZKIITQZ-DISONHOPSA-N
XLogP0.81
TPSA60.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.55
LogP ≤ 50.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (1R,4S,7R,12S,15R)-4,7,12-trimethyl-2,5,8,11,14-pentazabicyclo[13.5.0]icosane with MolForge

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Related Compounds

(1R,4S,12S,15R)-4,12-dimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane
CID 59936349
dichloromanganese;(14R)-14-methyl-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane
CID 59891219
(2S,4aR,8aR)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 24744083
(4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 15650611
(5S)-2,5-dimethyl-1,4-diazepane
CID 143410890
bis(dichloromanganese);(6R,7R)-6,7-dimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane;manganese;(11R)-2,5,12,15,18-pentazatricyclo[17.4.0.06,11]tricosane;trans-(2S,3S)-2,3-dimethyl-1,4,7,10,13-pentazacyclopentadecane;(4S,7S,12S)-4,7,12-trimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane;diisocyanate
CID 162302988
2,5-dimethyl-1,4,7-triazonane
CID 66663266
(2S,5R,8S,11S)-2,5,8,11-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
CID 70323374
3-[(1R,3R,7R,10S,15R)-7,10-dimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecan-3-yl]propan-1-amine
CID 58758491
2,5-dimethylpiperazine;methanethiol
CID 170737896
(2R)-2-methylazonane
CID 89251055
(2S)-2-methylazocane
CID 137404038

Frequently Asked Questions

What is the IUPAC name of (1R,4S,7R,12S,15R)-4,7,12-trimethyl-2,5,8,11,14-pentazabicyclo[13.5.0]icosane?
The IUPAC name of (1R,4S,7R,12S,15R)-4,7,12-trimethyl-2,5,8,11,14-pentazabicyclo[13.5.0]icosane (CID 143273586) is (1R,4S,7R,12S,15R)-4,7,12-trimethyl-2,5,8,11,14-pentazabicyclo[13.5.0]icosane.
What is the SMILES notation for (1R,4S,7R,12S,15R)-4,7,12-trimethyl-2,5,8,11,14-pentazabicyclo[13.5.0]icosane?
The canonical SMILES for (1R,4S,7R,12S,15R)-4,7,12-trimethyl-2,5,8,11,14-pentazabicyclo[13.5.0]icosane is C[C@@H]1CN[C@@H](C)CN[C@@H]2CCCCC[C@H]2NC[C@H](C)NCCN1.
What is the InChIKey of (1R,4S,7R,12S,15R)-4,7,12-trimethyl-2,5,8,11,14-pentazabicyclo[13.5.0]icosane?
The InChIKey is SBWBUKNZKIITQZ-DISONHOPSA-N. The full InChI is InChI=1S/C18H39N5/c1-14-11-21-16(3)13-23-18-8-6-4-5-7-17(18)22-12-15(2)20-10-9-19-14/h14-23H,4-13H2,1-3H3/t14-,15+,16+,17-,18-/m1/s1.
What are the key properties of (1R,4S,7R,12S,15R)-4,7,12-trimethyl-2,5,8,11,14-pentazabicyclo[13.5.0]icosane?
(1R,4S,7R,12S,15R)-4,7,12-trimethyl-2,5,8,11,14-pentazabicyclo[13.5.0]icosane has a molecular weight of 325.55 g/mol, XLogP of 0.81, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,7R,12S,15R)-4,7,12-trimethyl-2,5,8,11,14-pentazabicyclo[13.5.0]icosane is sourced from PubChem (CID 143273586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).